N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C15H31ClN2O — CID 119763294

IUPACN-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-5-8-15(3,4)17-14(18)11-12(2)13-6-9-16-10-7-13;/h12-13,16H,5-11H2,1-4H3,(H,17,18);1H
InChIKeyITUYGBVNQVFWCO-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.13
Rot. Bonds6

About N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119763294) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119763294
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-5-8-15(3,4)17-14(18)11-12(2)13-6-9-16-10-7-13;/h12-13,16H,5-11H2,1-4H3,(H,17,18);1H
InChIKeyITUYGBVNQVFWCO-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
3-piperidin-4-yl-N-(4-propylcyclohexyl)butanamide
CID 119750393
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119763294) is N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CCCC(C)(C)NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ITUYGBVNQVFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-5-8-15(3,4)17-14(18)11-12(2)13-6-9-16-10-7-13;/h12-13,16H,5-11H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119763294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).