(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C15H24N4O — CID 62065172

IUPAC(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H24N4O/c1-12-14(11-16-17-12)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3,(H,16,17)
InChIKeyQSWUJXISRKRBJX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 62065172) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID62065172
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H24N4O/c1-12-14(11-16-17-12)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3,(H,16,17)
InChIKeyQSWUJXISRKRBJX-UHFFFAOYSA-N
XLogP1.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999596
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(5-methyl-1H-pyrazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63997457
[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46389328
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 62065172) is (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1[nH]ncc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is QSWUJXISRKRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-14(11-16-17-12)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3,(H,16,17).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 62065172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).