N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C26H33N3O2 — CID 56506504

IUPACN-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H33N3O2/c30-24-15-7-8-17-29(24)25(23-13-5-2-6-14-23)26(31)27-18-22-12-9-16-28(20-22)19-21-10-3-1-4-11-21/h1-6,10-11,13-14,22,25H,7-9,12,15-20H2,(H,27,31)
InChIKeySIJAFYINXXAZEY-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.77
Rot. Bonds7

About N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56506504) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56506504
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H33N3O2/c30-24-15-7-8-17-29(24)25(23-13-5-2-6-14-23)26(31)27-18-22-12-9-16-28(20-22)19-21-10-3-1-4-11-21/h1-6,10-11,13-14,22,25H,7-9,12,15-20H2,(H,27,31)
InChIKeySIJAFYINXXAZEY-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505171
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577127
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505309
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56506504) is N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCC1CCCN(Cc2ccccc2)C1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is SIJAFYINXXAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-24-15-7-8-17-29(24)25(23-13-5-2-6-14-23)26(31)27-18-22-12-9-16-28(20-22)19-21-10-3-1-4-11-21/h1-6,10-11,13-14,22,25H,7-9,12,15-20H2,(H,27,31).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 419.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56506504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).