1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

C25H34N4O2 — CID 110084472

IUPAC1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C(C)CCCC3C)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-17-7-9-20(10-8-17)15-23(30)28-13-11-21(12-14-28)24-22(16-26-27-24)25(31)29-18(2)5-4-6-19(29)3/h7-10,16,18-19,21H,4-6,11-15H2,1-3H3,(H,26,27)
InChIKeyLTBUTOSQTWWDEP-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 110084472) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID110084472
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C(C)CCCC3C)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-17-7-9-20(10-8-17)15-23(30)28-13-11-21(12-14-28)24-22(16-26-27-24)25(31)29-18(2)5-4-6-19(29)3/h7-10,16,18-19,21H,4-6,11-15H2,1-3H3,(H,26,27)
InChIKeyLTBUTOSQTWWDEP-UHFFFAOYSA-N
XLogP4.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110084471
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124987050
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110084449
1-[4-[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959143
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959144
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236660
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110236654
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110082922
1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583937
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 110084472) is 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C(C)CCCC3C)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is LTBUTOSQTWWDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-7-9-20(10-8-17)15-23(30)28-13-11-21(12-14-28)24-22(16-26-27-24)25(31)29-18(2)5-4-6-19(29)3/h7-10,16,18-19,21H,4-6,11-15H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 422.57 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 110084472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).