N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide

C29H39N3O2 — CID 42856764

IUPACN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)c1
InChIInChI=1S/C29H39N3O2/c1-23-8-7-9-25(20-23)22-32(29(34)26-10-3-4-11-26)27-14-12-24(13-15-27)21-28(33)30-16-19-31-17-5-2-6-18-31/h7-9,12-15,20,26H,2-6,10-11,16-19,21-22H2,1H3,(H,30,33)
InChIKeyQQLMAQNOBVECFU-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.86
Rot. Bonds9

About N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide (PubChem CID 42856764) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
PubChem CID42856764
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)c1
InChIInChI=1S/C29H39N3O2/c1-23-8-7-9-25(20-23)22-32(29(34)26-10-3-4-11-26)27-14-12-24(13-15-27)21-28(33)30-16-19-31-17-5-2-6-18-31/h7-9,12-15,20,26H,2-6,10-11,16-19,21-22H2,1H3,(H,30,33)
InChIKeyQQLMAQNOBVECFU-UHFFFAOYSA-N
XLogP4.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046355
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561
N-[(4-methylphenyl)methyl]-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 42852829
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide (CID 42856764) is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide is Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is QQLMAQNOBVECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-23-8-7-9-25(20-23)22-32(29(34)26-10-3-4-11-26)27-14-12-24(13-15-27)21-28(33)30-16-19-31-17-5-2-6-18-31/h7-9,12-15,20,26H,2-6,10-11,16-19,21-22H2,1H3,(H,30,33).
What are the key properties of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide?
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 461.65 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 42856764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).