(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride

C20H32ClN3O2 — CID 120636780

IUPAC(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC1CCC(Oc2cc(CNC(=O)[C@H]3CCN[C@@H](C)C3)ccn2)CC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14-3-5-18(6-4-14)25-19-12-16(7-9-22-19)13-23-20(24)17-8-10-21-15(2)11-17;/h7,9,12,14-15,17-18,21H,3-6,8,10-11,13H2,1-2H3,(H,23,24);1H/t14?,15-,17-,18?;/m0./s1
InChIKeyJGPGOZUVZXBPTF-DHGGLRINSA-N
MW381.95 g/mol
LogP3.47
Rot. Bonds5

About (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120636780) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120636780
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC1CCC(Oc2cc(CNC(=O)[C@H]3CCN[C@@H](C)C3)ccn2)CC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14-3-5-18(6-4-14)25-19-12-16(7-9-22-19)13-23-20(24)17-8-10-21-15(2)11-17;/h7,9,12,14-15,17-18,21H,3-6,8,10-11,13H2,1-2H3,(H,23,24);1H/t14?,15-,17-,18?;/m0./s1
InChIKeyJGPGOZUVZXBPTF-DHGGLRINSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
4-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002138
6-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 75464024
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120636109
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120636780) is (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride is CC1CCC(Oc2cc(CNC(=O)[C@H]3CCN[C@@H](C)C3)ccn2)CC1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JGPGOZUVZXBPTF-DHGGLRINSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-14-3-5-18(6-4-14)25-19-12-16(7-9-22-19)13-23-20(24)17-8-10-21-15(2)11-17;/h7,9,12,14-15,17-18,21H,3-6,8,10-11,13H2,1-2H3,(H,23,24);1H/t14?,15-,17-,18?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).