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

C18H37ClN2O — CID 119816024

IUPACN-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(CC)N(CC(C)C)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C18H36N2O.ClH/c1-6-17(7-2)20(13-14(3)4)18(21)12-15(5)16-8-10-19-11-9-16;/h14-17,19H,6-13H2,1-5H3;1H
InChIKeyRUUFDQOIDZEEDB-UHFFFAOYSA-N
MW332.96 g/mol
LogP4.11
Rot. Bonds8

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

N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119816024) has the molecular formula C18H37ClN2O and a molecular weight of 332.96 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119816024
Molecular FormulaC18H37ClN2O
Molecular Weight332.96 g/mol
Exact Mass332.26
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(CC)N(CC(C)C)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C18H36N2O.ClH/c1-6-17(7-2)20(13-14(3)4)18(21)12-15(5)16-8-10-19-11-9-16;/h14-17,19H,6-13H2,1-5H3;1H
InChIKeyRUUFDQOIDZEEDB-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.96
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119728999
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119791939
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785653
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N,N-bis(2-methoxyethyl)-3-piperidin-4-ylbutanamide
CID 119672639

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119816024) is N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride is CCC(CC)N(CC(C)C)C(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is RUUFDQOIDZEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O.ClH/c1-6-17(7-2)20(13-14(3)4)18(21)12-15(5)16-8-10-19-11-9-16;/h14-17,19H,6-13H2,1-5H3;1H.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 332.96 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119816024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).