(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide

C17H28N4O2 — CID 125171891

IUPAC(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)Nc2cc(C)nn2C2CCCCC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)14-7-4-3-5-8-14)18-17(22)20-10-6-9-15(12-20)23-2/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyVWDFMSNVEMXAJU-OAHLLOKOSA-N
MW320.44 g/mol
LogP3.34
Rot. Bonds3

About (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide

(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide (PubChem CID 125171891) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
PubChem CID125171891
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)Nc2cc(C)nn2C2CCCCC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)14-7-4-3-5-8-14)18-17(22)20-10-6-9-15(12-20)23-2/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyVWDFMSNVEMXAJU-OAHLLOKOSA-N
XLogP3.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 118793979
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 125174632
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 102961703

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide (CID 125171891) is (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide is CO[C@@H]1CCCN(C(=O)Nc2cc(C)nn2C2CCCCC2)C1.
What is the InChIKey of (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide?
The InChIKey is VWDFMSNVEMXAJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)14-7-4-3-5-8-14)18-17(22)20-10-6-9-15(12-20)23-2/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide?
(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 125171891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).