(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide

C19H25ClN4O2 — CID 125162851

IUPAC(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)Nc2c(C)cnn2Cc2ccccc2Cl)C1
InChIInChI=1S/C19H25ClN4O2/c1-14-10-21-24(12-16-7-3-4-8-17(16)20)18(14)22-19(25)23-9-5-6-15(11-23)13-26-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyKYBXLKRAXGTCTK-OAHLLOKOSA-N
MW376.89 g/mol
LogP3.78
Rot. Bonds5

About (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide

(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 125162851) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID125162851
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)Nc2c(C)cnn2Cc2ccccc2Cl)C1
InChIInChI=1S/C19H25ClN4O2/c1-14-10-21-24(12-16-7-3-4-8-17(16)20)18(14)22-19(25)23-9-5-6-15(11-23)13-26-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyKYBXLKRAXGTCTK-OAHLLOKOSA-N
XLogP3.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
CID 125156367
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 155916731
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 124728722
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide (CID 125162851) is (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide is COC[C@@H]1CCCN(C(=O)Nc2c(C)cnn2Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is KYBXLKRAXGTCTK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-14-10-21-24(12-16-7-3-4-8-17(16)20)18(14)22-19(25)23-9-5-6-15(11-23)13-26-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide?
(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125162851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).