1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone

C23H30N4O3 — CID 110252786

IUPAC1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-20(15-24-25-17)23(29)26-13-10-18(11-14-26)21-9-5-6-12-27(21)22(28)16-30-19-7-3-2-4-8-19/h2-4,7-8,15,18,21H,5-6,9-14,16H2,1H3,(H,24,25)
InChIKeyCPKBAWMDVGPTIT-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110252786) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID110252786
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-20(15-24-25-17)23(29)26-13-10-18(11-14-26)21-9-5-6-12-27(21)22(28)16-30-19-7-3-2-4-8-19/h2-4,7-8,15,18,21H,5-6,9-14,16H2,1H3,(H,24,25)
InChIKeyCPKBAWMDVGPTIT-UHFFFAOYSA-N
XLogP3.03
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852
5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 125003841
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110798222
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 95293830
2-phenoxy-1-[4-[(2R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-2-yl]piperidin-1-yl]ethanone
CID 124994913
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 110285901
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-iodophenoxy)ethanone
CID 55339057
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 110252786) is 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone is Cc1[nH]ncc1C(=O)N1CCC(C2CCCCN2C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is CPKBAWMDVGPTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-20(15-24-25-17)23(29)26-13-10-18(11-14-26)21-9-5-6-12-27(21)22(28)16-30-19-7-3-2-4-8-19/h2-4,7-8,15,18,21H,5-6,9-14,16H2,1H3,(H,24,25).
What are the key properties of 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 410.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110252786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).