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

C14H18N4O — CID 70749250

IUPAC[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1c[nH]c(C(=O)N2CCC(c3ncc[nH]3)CC2)c1
InChIInChI=1S/C14H18N4O/c1-10-8-12(17-9-10)14(19)18-6-2-11(3-7-18)13-15-4-5-16-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVBJKLPCQLHUNRT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds2

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

[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 70749250) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
PubChem CID70749250
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1c[nH]c(C(=O)N2CCC(c3ncc[nH]3)CC2)c1
InChIInChI=1S/C14H18N4O/c1-10-8-12(17-9-10)14(19)18-6-2-11(3-7-18)13-15-4-5-16-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVBJKLPCQLHUNRT-UHFFFAOYSA-N
XLogP2.07
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
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(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 166214756
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
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(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
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(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (CID 70749250) is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is Cc1c[nH]c(C(=O)N2CCC(c3ncc[nH]3)CC2)c1.
What is the InChIKey of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is VBJKLPCQLHUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-12(17-9-10)14(19)18-6-2-11(3-7-18)13-15-4-5-16-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70749250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).