N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine

C29H36ClN3O2 — CID 142818359

IUPACN-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
SMILESCOc1cc(C2=CC(CN(c3ccc(Cl)cc3)C3CCNCC3)=CCN2)cc(C2CCC2)c1OC
InChIInChI=1S/C29H36ClN3O2/c1-34-28-18-22(17-26(29(28)35-2)21-4-3-5-21)27-16-20(10-15-32-27)19-33(25-11-13-31-14-12-25)24-8-6-23(30)7-9-24/h6-10,16-18,21,25,31-32H,3-5,11-15,19H2,1-2H3
InChIKeyAPLRMBWBXOLRKN-UHFFFAOYSA-N
MW494.08 g/mol
LogP5.75
Rot. Bonds8

About N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine

N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine (PubChem CID 142818359) has the molecular formula C29H36ClN3O2 and a molecular weight of 494.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
PubChem CID142818359
Molecular FormulaC29H36ClN3O2
Molecular Weight494.08 g/mol
Exact Mass493.25
IUPAC NameN-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
SMILESCOc1cc(C2=CC(CN(c3ccc(Cl)cc3)C3CCNCC3)=CCN2)cc(C2CCC2)c1OC
InChIInChI=1S/C29H36ClN3O2/c1-34-28-18-22(17-26(29(28)35-2)21-4-3-5-21)27-16-20(10-15-32-27)19-33(25-11-13-31-14-12-25)24-8-6-23(30)7-9-24/h6-10,16-18,21,25,31-32H,3-5,11-15,19H2,1-2H3
InChIKeyAPLRMBWBXOLRKN-UHFFFAOYSA-N
XLogP5.75
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.08
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-N-[[6-(3,4,5-trimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine
CID 142818355
N-(4-chlorophenyl)-N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906194
N-(4-bromophenyl)-N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906120
N-(3,4-difluorophenyl)-N-[[1-methyl-6-(3,4,5-trimethoxyphenyl)-2H-pyridin-4-yl]methyl]piperidin-4-amine
CID 142818219
N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 142217715
N-(4-fluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 22557922
N-(3,4-difluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 22558079
N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 22557804
4-[piperidin-4-yl-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]amino]benzenethiol
CID 70998943
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine (CID 142818359) is N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine is COc1cc(C2=CC(CN(c3ccc(Cl)cc3)C3CCNCC3)=CCN2)cc(C2CCC2)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine?
The InChIKey is APLRMBWBXOLRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN3O2/c1-34-28-18-22(17-26(29(28)35-2)21-4-3-5-21)27-16-20(10-15-32-27)19-33(25-11-13-31-14-12-25)24-8-6-23(30)7-9-24/h6-10,16-18,21,25,31-32H,3-5,11-15,19H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine?
N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine has a molecular weight of 494.08 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[[6-(3-cyclobutyl-4,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 142818359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).