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

C12H19N3O — CID 96672355

IUPAC(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1ccc(CNC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H19N3O/c1-15-6-4-10(9-15)7-14-12(16)11-3-2-5-13-8-11/h4,6,9,11,13H,2-3,5,7-8H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyNQGQBTSEIZVFIS-LLVKDONJSA-N
MW221.30 g/mol
LogP0.64
Rot. Bonds3

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

(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 96672355) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID96672355
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1ccc(CNC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H19N3O/c1-15-6-4-10(9-15)7-14-12(16)11-3-2-5-13-8-11/h4,6,9,11,13H,2-3,5,7-8H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyNQGQBTSEIZVFIS-LLVKDONJSA-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

N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide (CID 96672355) is (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide is Cn1ccc(CNC(=O)[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NQGQBTSEIZVFIS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-6-4-10(9-15)7-14-12(16)11-3-2-5-13-8-11/h4,6,9,11,13H,2-3,5,7-8H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-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 (3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 96672355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).