N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide

C12H19N3O — CID 2805517

IUPACN-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(Cn2cccc2)C1
InChIInChI=1S/C12H19N3O/c1-13-12(16)15-8-4-5-11(10-15)9-14-6-2-3-7-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,13,16)
InChIKeyDHHFKZCNHXYJIE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.54
Rot. Bonds2

About N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide

N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 2805517) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID2805517
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(Cn2cccc2)C1
InChIInChI=1S/C12H19N3O/c1-13-12(16)15-8-4-5-11(10-15)9-14-6-2-3-7-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,13,16)
InChIKeyDHHFKZCNHXYJIE-UHFFFAOYSA-N
XLogP1.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide (CID 2805517) is N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide is CNC(=O)N1CCCC(Cn2cccc2)C1.
What is the InChIKey of N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DHHFKZCNHXYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-12(16)15-8-4-5-11(10-15)9-14-6-2-3-7-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide?
N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 2805517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).