3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide

C19H27N3O2 — CID 50789048

IUPAC3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C19H27N3O2/c1-13(2)20-19(24)22-10-4-7-16(12-22)14-5-3-6-15(11-14)18(23)21-17-8-9-17/h3,5-6,11,13,16-17H,4,7-10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWEWGPJKBKSBRQA-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.88
Rot. Bonds4

About 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide

3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 50789048) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID50789048
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C19H27N3O2/c1-13(2)20-19(24)22-10-4-7-16(12-22)14-5-3-6-15(11-14)18(23)21-17-8-9-17/h3,5-6,11,13,16-17H,4,7-10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWEWGPJKBKSBRQA-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891138
(3R)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872954

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 50789048) is 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(c2cccc(C(=O)NC3CC3)c2)C1.
What is the InChIKey of 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WEWGPJKBKSBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)20-19(24)22-10-4-7-16(12-22)14-5-3-6-15(11-14)18(23)21-17-8-9-17/h3,5-6,11,13,16-17H,4,7-10,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 50789048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).