N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane

C55H71N3O4 — CID 142906215

IUPACN-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane
SMILESCC.COc1cc(C2C=C(CN3CCC(N(Cc4ccccc4-c4cc(OC)c(C5CCC5)c(OC)c4)c4ccc(C)c(OCC5CCC5)c4)CC3)C=CN2)cc(C2CC2)c1C
InChIInChI=1S/C53H65N3O4.C2H6/c1-35-16-19-45(31-49(35)60-34-37-10-8-11-37)56(33-41-12-6-7-15-46(41)42-28-51(58-4)53(40-13-9-14-40)52(29-42)59-5)44-21-24-55(25-22-44)32-38-20-23-54-48(26-38)43-27-47(39-17-18-39)36(2)50(30-43)57-3;1-2/h6-7,12,15-16,19-20,23,26-31,37,39-40,44,48,54H,8-11,13-14,17-18,21-22,24-25,32-34H2,1-5H3;1-2H3
InChIKeyPZRRVPOHHLPYGE-UHFFFAOYSA-N
MW838.19 g/mol
LogP12.60
Rot. Bonds16

About N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane

N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane (PubChem CID 142906215) has the molecular formula C55H71N3O4 and a molecular weight of 838.19 g/mol. Its IUPAC name is N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane.

Molecular Properties

Compound NameN-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane
PubChem CID142906215
Molecular FormulaC55H71N3O4
Molecular Weight838.19 g/mol
Exact Mass837.54
IUPAC NameN-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane
SMILESCC.COc1cc(C2C=C(CN3CCC(N(Cc4ccccc4-c4cc(OC)c(C5CCC5)c(OC)c4)c4ccc(C)c(OCC5CCC5)c4)CC3)C=CN2)cc(C2CC2)c1C
InChIInChI=1S/C53H65N3O4.C2H6/c1-35-16-19-45(31-49(35)60-34-37-10-8-11-37)56(33-41-12-6-7-15-46(41)42-28-51(58-4)53(40-13-9-14-40)52(29-42)59-5)44-21-24-55(25-22-44)32-38-20-23-54-48(26-38)43-27-47(39-17-18-39)36(2)50(30-43)57-3;1-2/h6-7,12,15-16,19-20,23,26-31,37,39-40,44,48,54H,8-11,13-14,17-18,21-22,24-25,32-34H2,1-5H3;1-2H3
InChIKeyPZRRVPOHHLPYGE-UHFFFAOYSA-N
XLogP12.60
TPSA55.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.19
LogP ≤ 512.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane with MolForge

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Related Compounds

N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-(3-methylsulfanylphenyl)piperidin-4-amine
CID 142906140
1-[[2-(3-cyclobutyl-5-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142906029
N'-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N'-propyl-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]pentane-1,5-diamine
CID 142201401
ethane;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-1-[[2-(4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
CID 142217812
2-(3,5-dimethoxy-4-methylphenyl)-4-[(4-propylpiperidin-1-yl)methyl]-1,2-dihydropyridine;ethane;(E)-4-phenylbut-3-en-2-one
CID 142201385
1-[[2-(4-cyclobutyl-3-methoxy-5-propylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-[[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]methyl]-N-(4-methoxycyclohepta-2,4-dien-1-yl)piperidin-4-amine;ethane
CID 142818365
N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-[[2-(3-fluoro-5-propylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine;ethane
CID 142906224
N-(3,5-dimethoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 12043139
N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine
CID 142906198
N-(3-methylthiophen-2-yl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 22558076
N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine
CID 142218021
5-[4-[[4-[N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidin-1-yl]methyl]-2-pyridinyl]-3-cyclopropylbenzene-1,2-diol
CID 142818250

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane?
The IUPAC name of N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane (CID 142906215) is N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane.
What is the SMILES notation for N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane?
The canonical SMILES for N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane is CC.COc1cc(C2C=C(CN3CCC(N(Cc4ccccc4-c4cc(OC)c(C5CCC5)c(OC)c4)c4ccc(C)c(OCC5CCC5)c4)CC3)C=CN2)cc(C2CC2)c1C.
What is the InChIKey of N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane?
The InChIKey is PZRRVPOHHLPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H65N3O4.C2H6/c1-35-16-19-45(31-49(35)60-34-37-10-8-11-37)56(33-41-12-6-7-15-46(41)42-28-51(58-4)53(40-13-9-14-40)52(29-42)59-5)44-21-24-55(25-22-44)32-38-20-23-54-48(26-38)43-27-47(39-17-18-39)36(2)50(30-43)57-3;1-2/h6-7,12,15-16,19-20,23,26-31,37,39-40,44,48,54H,8-11,13-14,17-18,21-22,24-25,32-34H2,1-5H3;1-2H3.
What are the key properties of N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane?
N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane has a molecular weight of 838.19 g/mol, XLogP of 12.60, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclobutyl-3,5-dimethoxyphenyl)phenyl]methyl]-N-[3-(cyclobutylmethoxy)-4-methylphenyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine;ethane is sourced from PubChem (CID 142906215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).