1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C22H36N4O2 — CID 72838074

IUPAC1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-17(2)12-26(15-19-11-23-24(3)13-19)22(28)20-9-10-21(27)25(16-20)14-18-7-5-4-6-8-18/h11,13,17-18,20H,4-10,12,14-16H2,1-3H3
InChIKeyJEXMKZWYOZHCFE-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.22
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72838074) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72838074
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-17(2)12-26(15-19-11-23-24(3)13-19)22(28)20-9-10-21(27)25(16-20)14-18-7-5-4-6-8-18/h11,13,17-18,20H,4-10,12,14-16H2,1-3H3
InChIKeyJEXMKZWYOZHCFE-UHFFFAOYSA-N
XLogP3.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72838074) is 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CC(C)CN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JEXMKZWYOZHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-17(2)12-26(15-19-11-23-24(3)13-19)22(28)20-9-10-21(27)25(16-20)14-18-7-5-4-6-8-18/h11,13,17-18,20H,4-10,12,14-16H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72838074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).