N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H32N4O2 — CID 56514621

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H32N4O2/c30-23-12-6-9-17-29(23)24(21-10-4-3-5-11-21)25(31)27-19-20-13-14-22(26-18-20)28-15-7-1-2-8-16-28/h3-5,10-11,13-14,18,24H,1-2,6-9,12,15-17,19H2,(H,27,31)
InChIKeyKFAPMFLGQILGMZ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.83
Rot. Bonds6

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56514621) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56514621
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H32N4O2/c30-23-12-6-9-17-29(23)24(21-10-4-3-5-11-21)25(31)27-19-20-13-14-22(26-18-20)28-15-7-1-2-8-16-28/h3-5,10-11,13-14,18,24H,1-2,6-9,12,15-17,19H2,(H,27,31)
InChIKeyKFAPMFLGQILGMZ-UHFFFAOYSA-N
XLogP3.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505727
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2-(2-fluorophenyl)sulfanyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745356
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55747084
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56514621) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCc1ccc(N2CCCCCC2)nc1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is KFAPMFLGQILGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-23-12-6-9-17-29(23)24(21-10-4-3-5-11-21)25(31)27-19-20-13-14-22(26-18-20)28-15-7-1-2-8-16-28/h3-5,10-11,13-14,18,24H,1-2,6-9,12,15-17,19H2,(H,27,31).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 420.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56514621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).