2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide

C20H27N3O3 — CID 55669259

IUPAC2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-14-13-16(14)19(25)21-10-9-18(24)22-17-8-4-3-7-15(17)20(26)23-11-5-2-6-12-23/h3-4,7-8,14,16H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyBHNRJTPEEFJSRA-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.41
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide

2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide (PubChem CID 55669259) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
PubChem CID55669259
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-14-13-16(14)19(25)21-10-9-18(24)22-17-8-4-3-7-15(17)20(26)23-11-5-2-6-12-23/h3-4,7-8,14,16H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyBHNRJTPEEFJSRA-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide (CID 55669259) is 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide?
The InChIKey is BHNRJTPEEFJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-13-16(14)19(25)21-10-9-18(24)22-17-8-4-3-7-15(17)20(26)23-11-5-2-6-12-23/h3-4,7-8,14,16H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).