1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H30N4O2 — CID 24817829

IUPAC1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-14-17(12-22(2)21-14)10-20-19(25)16-8-9-18(24)23(13-16)11-15-6-4-3-5-7-15/h12,15-16H,3-11,13H2,1-2H3,(H,20,25)
InChIKeyOTNHOLIABCFDMX-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.16
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817829) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817829
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-14-17(12-22(2)21-14)10-20-19(25)16-8-9-18(24)23(13-16)11-15-6-4-3-5-7-15/h12,15-16H,3-11,13H2,1-2H3,(H,20,25)
InChIKeyOTNHOLIABCFDMX-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817829) is 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1nn(C)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is OTNHOLIABCFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-17(12-22(2)21-14)10-20-19(25)16-8-9-18(24)23(13-16)11-15-6-4-3-5-7-15/h12,15-16H,3-11,13H2,1-2H3,(H,20,25).
What are the key properties of 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).