1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C21H31N3O2 — CID 45221291

IUPAC1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O2/c1-17(25)23-14-10-20(11-15-23)24-13-5-8-19(16-24)21(26)22-12-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26)
InChIKeyCEJQVHZASOPJJL-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.07
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 45221291) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID45221291
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O2/c1-17(25)23-14-10-20(11-15-23)24-13-5-8-19(16-24)21(26)22-12-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26)
InChIKeyCEJQVHZASOPJJL-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
(3S)-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 42394363
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45242607
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571690
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 45221291) is 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is CC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is CEJQVHZASOPJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17(25)23-14-10-20(11-15-23)24-13-5-8-19(16-24)21(26)22-12-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45221291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).