N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C20H29N3O2 — CID 120599408

IUPACN-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CCN1
InChIInChI=1S/C20H29N3O2/c1-15-12-18(9-10-21-15)22-20(25)17-8-5-11-23(14-17)19(24)13-16-6-3-2-4-7-16/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,22,25)
InChIKeyGEDSBJGLZQSCOL-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.72
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 120599408) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID120599408
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CCN1
InChIInChI=1S/C20H29N3O2/c1-15-12-18(9-10-21-15)22-20(25)17-8-5-11-23(14-17)19(24)13-16-6-3-2-4-7-16/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,22,25)
InChIKeyGEDSBJGLZQSCOL-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120599279
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
CID 120602193
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 120599408) is N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is CC1CC(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is GEDSBJGLZQSCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-12-18(9-10-21-15)22-20(25)17-8-5-11-23(14-17)19(24)13-16-6-3-2-4-7-16/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,22,25).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 120599408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).