(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone

C22H28N4O2 — CID 120926910

IUPAC(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-3-5-18(6-4-17)20(27)19-7-15-25(16-8-19)21(28)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-16H2,1H3
InChIKeyROIKGZDYQWDLJF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.39
Rot. Bonds4

About (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone

(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 120926910) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID120926910
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-3-5-18(6-4-17)20(27)19-7-15-25(16-8-19)21(28)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-16H2,1H3
InChIKeyROIKGZDYQWDLJF-UHFFFAOYSA-N
XLogP2.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120927660
[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
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941971
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 120925571
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 120930818
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone (CID 120926910) is (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is ROIKGZDYQWDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-3-5-18(6-4-17)20(27)19-7-15-25(16-8-19)21(28)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-16H2,1H3.
What are the key properties of (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone?
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120926910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).