N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide

C27H34N2O2 — CID 46056561

IUPACN-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCC1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C27H34N2O2/c1-21-14-16-28(17-15-21)26(30)19-23-10-7-13-25(18-23)29(20-22-8-3-2-4-9-22)27(31)24-11-5-6-12-24/h2-4,7-10,13,18,21,24H,5-6,11-12,14-17,19-20H2,1H3
InChIKeyWGJMTLPMWXVRFY-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.21
Rot. Bonds6

About N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide

N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46056561) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
PubChem CID46056561
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCC1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C27H34N2O2/c1-21-14-16-28(17-15-21)26(30)19-23-10-7-13-25(18-23)29(20-22-8-3-2-4-9-22)27(31)24-11-5-6-12-24/h2-4,7-10,13,18,21,24H,5-6,11-12,14-17,19-20H2,1H3
InChIKeyWGJMTLPMWXVRFY-UHFFFAOYSA-N
XLogP5.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075
ethyl (3S)-1-[2-[4-[benzyl(cyclopentanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329381
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide (CID 46056561) is N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide is CC1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)CC1.
What is the InChIKey of N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is WGJMTLPMWXVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-21-14-16-28(17-15-21)26(30)19-23-10-7-13-25(18-23)29(20-22-8-3-2-4-9-22)27(31)24-11-5-6-12-24/h2-4,7-10,13,18,21,24H,5-6,11-12,14-17,19-20H2,1H3.
What are the key properties of N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 418.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46056561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).