(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride

C13H25ClN2O — CID 120635741

IUPAC(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2(C)CCC2)CCN1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-8-11(4-7-14-10)12(16)15-9-13(2)5-3-6-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H/t10-,11-;/m0./s1
InChIKeyCEXCPBNBMWISKR-ACMTZBLWSA-N
MW260.81 g/mol
LogP2.10
Rot. Bonds3

About (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120635741) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120635741
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2(C)CCC2)CCN1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10-8-11(4-7-14-10)12(16)15-9-13(2)5-3-6-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H/t10-,11-;/m0./s1
InChIKeyCEXCPBNBMWISKR-ACMTZBLWSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
(2S,4S)-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641285
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478
(2S,4S)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120639460
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
CID 91660382
2-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 130727562
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120635741) is (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC2(C)CCC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CEXCPBNBMWISKR-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10-8-11(4-7-14-10)12(16)15-9-13(2)5-3-6-13;/h10-11,14H,3-9H2,1-2H3,(H,15,16);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).