1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide

C12H19N3O — CID 53016041

IUPAC1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1cccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H19N3O/c1-14-6-3-5-11(14)9-15-7-2-4-10(8-15)12(13)16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,13,16)
InChIKeyJHAIFFTXHVLNGK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.72
Rot. Bonds3

About 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide

1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 53016041) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID53016041
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1cccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H19N3O/c1-14-6-3-5-11(14)9-15-7-2-4-10(8-15)12(13)16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,13,16)
InChIKeyJHAIFFTXHVLNGK-UHFFFAOYSA-N
XLogP0.72
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide (CID 53016041) is 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide is Cn1cccc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JHAIFFTXHVLNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-6-3-5-11(14)9-15-7-2-4-10(8-15)12(13)16/h3,5-6,10H,2,4,7-9H2,1H3,(H2,13,16).
What are the key properties of 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53016041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).