N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

C18H25N3O2 — CID 50789022

IUPACN-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O2/c1-19-18(23)21-11-5-8-16(13-21)14-6-4-7-15(12-14)17(22)20-9-2-3-10-20/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,19,23)
InChIKeyVPMMAFKHMBXVFZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (PubChem CID 50789022) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
PubChem CID50789022
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O2/c1-19-18(23)21-11-5-8-16(13-21)14-6-4-7-15(12-14)17(22)20-9-2-3-10-20/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,19,23)
InChIKeyVPMMAFKHMBXVFZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043
3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50788957
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
(3S)-N-methyl-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872985
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (CID 50789022) is N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is CNC(=O)N1CCCC(c2cccc(C(=O)N3CCCC3)c2)C1.
What is the InChIKey of N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is VPMMAFKHMBXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-18(23)21-11-5-8-16(13-21)14-6-4-7-15(12-14)17(22)20-9-2-3-10-20/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,19,23).
What are the key properties of N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 50789022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).