N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C17H23N3O2 — CID 119685018

IUPACN-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C17H23N3O2/c21-16(13-8-9-18-12-13)19-15-7-3-2-6-14(15)17(22)20-10-4-1-5-11-20/h2-3,6-7,13,18H,1,4-5,8-12H2,(H,19,21)
InChIKeyLJAACMITYSPUQM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.86
Rot. Bonds3

About N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119685018) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119685018
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C17H23N3O2/c21-16(13-8-9-18-12-13)19-15-7-3-2-6-14(15)17(22)20-10-4-1-5-11-20/h2-3,6-7,13,18H,1,4-5,8-12H2,(H,19,21)
InChIKeyLJAACMITYSPUQM-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 119685018) is N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCNC1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is LJAACMITYSPUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(13-8-9-18-12-13)19-15-7-3-2-6-14(15)17(22)20-10-4-1-5-11-20/h2-3,6-7,13,18H,1,4-5,8-12H2,(H,19,21).
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119685018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).