4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide

C27H36N2O3 — CID 132779071

IUPAC4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
SMILESCOc1cccc(-c2cccc(CC3(C(=O)NCC4CCCN(C)C4)CCOCC3)c2)c1
InChIInChI=1S/C27H36N2O3/c1-29-13-5-7-22(20-29)19-28-26(30)27(11-14-32-15-12-27)18-21-6-3-8-23(16-21)24-9-4-10-25(17-24)31-2/h3-4,6,8-10,16-17,22H,5,7,11-15,18-20H2,1-2H3,(H,28,30)
InChIKeyUKVTYUBLAZYSCK-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.16
Rot. Bonds7

About 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide

4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide (PubChem CID 132779071) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
PubChem CID132779071
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
SMILESCOc1cccc(-c2cccc(CC3(C(=O)NCC4CCCN(C)C4)CCOCC3)c2)c1
InChIInChI=1S/C27H36N2O3/c1-29-13-5-7-22(20-29)19-28-26(30)27(11-14-32-15-12-27)18-21-6-3-8-23(16-21)24-9-4-10-25(17-24)31-2/h3-4,6,8-10,16-17,22H,5,7,11-15,18-20H2,1-2H3,(H,28,30)
InChIKeyUKVTYUBLAZYSCK-UHFFFAOYSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129454122
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110088169
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129456443
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide
CID 110262256
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110075872
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938713
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067
2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide (CID 132779071) is 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide is COc1cccc(-c2cccc(CC3(C(=O)NCC4CCCN(C)C4)CCOCC3)c2)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is UKVTYUBLAZYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-29-13-5-7-22(20-29)19-28-26(30)27(11-14-32-15-12-27)18-21-6-3-8-23(16-21)24-9-4-10-25(17-24)31-2/h3-4,6,8-10,16-17,22H,5,7,11-15,18-20H2,1-2H3,(H,28,30).
What are the key properties of 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide?
4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 132779071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).