N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide

C12H19N3O — CID 82494322

IUPACN-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccc(CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-15-7-4-10(9-15)8-14-12(16)11-2-5-13-6-3-11/h4,7,9,11,13H,2-3,5-6,8H2,1H3,(H,14,16)
InChIKeyWPHYNJOOFLICDB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.64
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 82494322) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID82494322
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccc(CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-15-7-4-10(9-15)8-14-12(16)11-2-5-13-6-3-11/h4,7,9,11,13H,2-3,5-6,8H2,1H3,(H,14,16)
InChIKeyWPHYNJOOFLICDB-UHFFFAOYSA-N
XLogP0.64
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
N-benzylpiperidine-4-carboxamide
CID 3868064
2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390529
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 103814722
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide (CID 82494322) is N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide is Cn1ccc(CNC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WPHYNJOOFLICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-7-4-10(9-15)8-14-12(16)11-2-5-13-6-3-11/h4,7,9,11,13H,2-3,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 82494322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).