2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide

C12H19N3O — CID 112531068

IUPAC2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide
SMILESCc1cc(CC(=O)NC2CCNCC2)c[nH]1
InChIInChI=1S/C12H19N3O/c1-9-6-10(8-14-9)7-12(16)15-11-2-4-13-5-3-11/h6,8,11,13-14H,2-5,7H2,1H3,(H,15,16)
InChIKeyBHVHQMDKRRBSCF-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.73
Rot. Bonds3

About 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide

2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide (PubChem CID 112531068) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide
PubChem CID112531068
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide
SMILESCc1cc(CC(=O)NC2CCNCC2)c[nH]1
InChIInChI=1S/C12H19N3O/c1-9-6-10(8-14-9)7-12(16)15-11-2-4-13-5-3-11/h6,8,11,13-14H,2-5,7H2,1H3,(H,15,16)
InChIKeyBHVHQMDKRRBSCF-UHFFFAOYSA-N
XLogP0.73
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386294
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
1-(3-aminopyrrolidin-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112530754
2-[4-(difluoromethoxy)phenyl]-N-piperidin-4-ylacetamide
CID 119387703

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide (CID 112531068) is 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide is Cc1cc(CC(=O)NC2CCNCC2)c[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide?
The InChIKey is BHVHQMDKRRBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-10(8-14-9)7-12(16)15-11-2-4-13-5-3-11/h6,8,11,13-14H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide?
2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide has a molecular weight of 221.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrrol-3-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 112531068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).