[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C17H24N6O — CID 120941971

IUPAC[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC(c2cnc[nH]2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H24N6O/c24-16(17(4-7-18-8-5-17)23-9-1-6-21-23)22-10-2-14(3-11-22)15-12-19-13-20-15/h1,6,9,12-14,18H,2-5,7-8,10-11H2,(H,19,20)
InChIKeyMHGIBUWJVUVHQB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.09
Rot. Bonds3

About [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120941971) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120941971
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC(c2cnc[nH]2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H24N6O/c24-16(17(4-7-18-8-5-17)23-9-1-6-21-23)22-10-2-14(3-11-22)15-12-19-13-20-15/h1,6,9,12-14,18H,2-5,7-8,10-11H2,(H,19,20)
InChIKeyMHGIBUWJVUVHQB-UHFFFAOYSA-N
XLogP1.09
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
CID 120926910
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 120925571
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120941971) is [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is O=C(N1CCC(c2cnc[nH]2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is MHGIBUWJVUVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-16(17(4-7-18-8-5-17)23-9-1-6-21-23)22-10-2-14(3-11-22)15-12-19-13-20-15/h1,6,9,12-14,18H,2-5,7-8,10-11H2,(H,19,20).
What are the key properties of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120941971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).