N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide

C30H37N3O — CID 140909133

IUPACN-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1
InChIInChI=1S/C30H37N3O/c1-2-3-12-29(34)32-27-15-13-26(14-16-27)24-33-22-19-30(20-23-33,28-11-7-8-21-31-28)18-17-25-9-5-4-6-10-25/h4-11,13-16,21H,2-3,12,17-20,22-24H2,1H3,(H,32,34)
InChIKeyXFAQSYPRWOVVEK-UHFFFAOYSA-N
MW455.65 g/mol
LogP6.38
Rot. Bonds10

About N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide

N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide (PubChem CID 140909133) has the molecular formula C30H37N3O and a molecular weight of 455.65 g/mol. Its IUPAC name is N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
PubChem CID140909133
Molecular FormulaC30H37N3O
Molecular Weight455.65 g/mol
Exact Mass455.29
IUPAC NameN-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1
InChIInChI=1S/C30H37N3O/c1-2-3-12-29(34)32-27-15-13-26(14-16-27)24-33-22-19-30(20-23-33,28-11-7-8-21-31-28)18-17-25-9-5-4-6-10-25/h4-11,13-16,21H,2-3,12,17-20,22-24H2,1H3,(H,32,34)
InChIKeyXFAQSYPRWOVVEK-UHFFFAOYSA-N
XLogP6.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
CID 135322521
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699535
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135322817
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pentanoate
CID 18289327

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide (CID 140909133) is N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide?
The InChIKey is XFAQSYPRWOVVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O/c1-2-3-12-29(34)32-27-15-13-26(14-16-27)24-33-22-19-30(20-23-33,28-11-7-8-21-31-28)18-17-25-9-5-4-6-10-25/h4-11,13-16,21H,2-3,12,17-20,22-24H2,1H3,(H,32,34).
What are the key properties of N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide?
N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide has a molecular weight of 455.65 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide is sourced from PubChem (CID 140909133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).