1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H32N4O2 — CID 24817602

IUPAC1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)n1
InChIInChI=1S/C20H32N4O2/c1-15-12-16(2)24(22-15)11-10-21-20(26)18-8-9-19(25)23(14-18)13-17-6-4-3-5-7-17/h12,17-18H,3-11,13-14H2,1-2H3,(H,21,26)
InChIKeyDJVZUOZOZBNLSF-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.44
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817602) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817602
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)n1
InChIInChI=1S/C20H32N4O2/c1-15-12-16(2)24(22-15)11-10-21-20(26)18-8-9-19(25)23(14-18)13-17-6-4-3-5-7-17/h12,17-18H,3-11,13-14H2,1-2H3,(H,21,26)
InChIKeyDJVZUOZOZBNLSF-UHFFFAOYSA-N
XLogP2.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24791193
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 16192290
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793249
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817053
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817651
1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45236786
N,N-diethyl-1-{2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperidine-3-carboxamide
CID 50976449
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
6-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56779796
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56909783
N-({5-[(cis-4-aminocyclohexyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70736466

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817602) is 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DJVZUOZOZBNLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-12-16(2)24(22-15)11-10-21-20(26)18-8-9-19(25)23(14-18)13-17-6-4-3-5-7-17/h12,17-18H,3-11,13-14H2,1-2H3,(H,21,26).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).