(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H29ClN2O2 — CID 120641285

IUPAC(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(O)C1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-10(2)13(18)15(5-6-15)9-17-14(19)12-4-7-16-11(3)8-12;/h10-13,16,18H,4-9H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyGUETXZYVPLTOJT-TVPPKBNJSA-N
MW304.86 g/mol
LogP1.71
Rot. Bonds5

About (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120641285) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120641285
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(O)C1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-10(2)13(18)15(5-6-15)9-17-14(19)12-4-7-16-11(3)8-12;/h10-13,16,18H,4-9H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyGUETXZYVPLTOJT-TVPPKBNJSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120635741
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
(2S,4S)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120639460
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 114006821
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120641285) is (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(C)C(O)C1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl.
What is the InChIKey of (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GUETXZYVPLTOJT-TVPPKBNJSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-10(2)13(18)15(5-6-15)9-17-14(19)12-4-7-16-11(3)8-12;/h10-13,16,18H,4-9H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1.
What are the key properties of (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120641285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).