[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone

C15H20N4O — CID 122153352

IUPAC[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H20N4O/c1-11-9-16-10-13(11)15(20)19-6-2-12(3-7-19)8-14-17-4-5-18-14/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyXWSXSBXTESITFM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds3

About [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone

[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 122153352) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
PubChem CID122153352
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H20N4O/c1-11-9-16-10-13(11)15(20)19-6-2-12(3-7-19)8-14-17-4-5-18-14/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyXWSXSBXTESITFM-UHFFFAOYSA-N
XLogP2.14
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 177042227
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 132971390
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone
CID 128903013
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153292
tert-butyl N-[3-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-3-oxopropyl]carbamate
CID 122158139
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 155916152

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone (CID 122153352) is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone is Cc1c[nH]cc1C(=O)N1CCC(Cc2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is XWSXSBXTESITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-9-16-10-13(11)15(20)19-6-2-12(3-7-19)8-14-17-4-5-18-14/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 122153352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).