(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride

C15H29ClN2O — CID 120623080

IUPAC(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CCN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-11(2)7-9-17(14-4-5-14)15(18)13-6-8-16-12(3)10-13;/h11-14,16H,4-10H2,1-3H3;1H/t12-,13-;/m0./s1
InChIKeyOEPJCFHBCYAFDI-QNTKWALQSA-N
MW288.86 g/mol
LogP2.83
Rot. Bonds5

About (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120623080) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120623080
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CCN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-11(2)7-9-17(14-4-5-14)15(18)13-6-8-16-12(3)10-13;/h11-14,16H,4-10H2,1-3H3;1H/t12-,13-;/m0./s1
InChIKeyOEPJCFHBCYAFDI-QNTKWALQSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
N-butyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 106739366
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639366
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
N-cyclohexyl-N-ethyl-2-methylpiperidine-4-carboxamide
CID 106738612
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
CID 93369841
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616330

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride (CID 120623080) is (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride is CC(C)CCN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl.
What is the InChIKey of (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OEPJCFHBCYAFDI-QNTKWALQSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-11(2)7-9-17(14-4-5-14)15(18)13-6-8-16-12(3)10-13;/h11-14,16H,4-10H2,1-3H3;1H/t12-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).