N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C27H35N3O2 — CID 56505171

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C(c3ccccc3)N3CCCCC3=O)cc2)C1
InChIInChI=1S/C27H35N3O2/c1-21-8-7-16-29(19-21)20-23-14-12-22(13-15-23)18-28-27(32)26(24-9-3-2-4-10-24)30-17-6-5-11-25(30)31/h2-4,9-10,12-15,21,26H,5-8,11,16-20H2,1H3,(H,28,32)
InChIKeyNRQSWCXALCILAR-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.29
Rot. Bonds7

About N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505171) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505171
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C(c3ccccc3)N3CCCCC3=O)cc2)C1
InChIInChI=1S/C27H35N3O2/c1-21-8-7-16-29(19-21)20-23-14-12-22(13-15-23)18-28-27(32)26(24-9-3-2-4-10-24)30-17-6-5-11-25(30)31/h2-4,9-10,12-15,21,26H,5-8,11,16-20H2,1H3,(H,28,32)
InChIKeyNRQSWCXALCILAR-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505309
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505171) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CC1CCCN(Cc2ccc(CNC(=O)C(c3ccccc3)N3CCCCC3=O)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is NRQSWCXALCILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-21-8-7-16-29(19-21)20-23-14-12-22(13-15-23)18-28-27(32)26(24-9-3-2-4-10-24)30-17-6-5-11-25(30)31/h2-4,9-10,12-15,21,26H,5-8,11,16-20H2,1H3,(H,28,32).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 433.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).