N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

C22H36N4O2 — CID 72860237

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-22(2,3)19-12-18(23-24-19)15-25(4)21(28)17-10-11-20(27)26(14-17)13-16-8-6-5-7-9-16/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,24)
InChIKeyHHNQRUGHVSQWBC-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 72860237) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID72860237
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-22(2,3)19-12-18(23-24-19)15-25(4)21(28)17-10-11-20(27)26(14-17)13-16-8-6-5-7-9-16/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,24)
InChIKeyHHNQRUGHVSQWBC-UHFFFAOYSA-N
XLogP3.48
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 72860237) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is HHNQRUGHVSQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-22(2,3)19-12-18(23-24-19)15-25(4)21(28)17-10-11-20(27)26(14-17)13-16-8-6-5-7-9-16/h12,16-17H,5-11,13-15H2,1-4H3,(H,23,24).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72860237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).