N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide

C11H17N3O — CID 115159892

IUPACN-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1cc[nH]c1
InChIInChI=1S/C11H17N3O/c1-14(10-4-6-13-8-10)11(15)9-3-2-5-12-7-9/h4,6,8-9,12-13H,2-3,5,7H2,1H3
InChIKeyNXPRDGNYYWMXNG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.98
Rot. Bonds2

About N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide

N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide (PubChem CID 115159892) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
PubChem CID115159892
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)c1cc[nH]c1
InChIInChI=1S/C11H17N3O/c1-14(10-4-6-13-8-10)11(15)9-3-2-5-12-7-9/h4,6,8-9,12-13H,2-3,5,7H2,1H3
InChIKeyNXPRDGNYYWMXNG-UHFFFAOYSA-N
XLogP0.98
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165543
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
N-methyl-N-(1H-pyrrol-2-yl)piperidine-3-carboxamide
CID 115159891
N-methyl-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide;dihydrochloride
CID 119893048
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 91609234
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide (CID 115159892) is N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide is CN(C(=O)C1CCCNC1)c1cc[nH]c1.
What is the InChIKey of N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide?
The InChIKey is NXPRDGNYYWMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(10-4-6-13-8-10)11(15)9-3-2-5-12-7-9/h4,6,8-9,12-13H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide?
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 115159892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).