2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

C13H27ClN2O — CID 119555477

IUPAC2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(C)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)11(3)13(16)15-8-6-12-5-4-7-14-9-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyZDBVWAJECKSDRQ-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.21
Rot. Bonds5

About 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119555477) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119555477
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(C)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)11(3)13(16)15-8-6-12-5-4-7-14-9-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyZDBVWAJECKSDRQ-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119556569
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555109
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
2-acetamido-2-cyclopentyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119555580

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (CID 119555477) is 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is CC(C)C(C)C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is ZDBVWAJECKSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)11(3)13(16)15-8-6-12-5-4-7-14-9-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119555477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).