N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

C17H31ClN2O — CID 119760613

IUPACN-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C(C1CC1)C1CC1)C1CCNCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-12(13-7-9-18-10-8-13)11-16(20)19(2)17(14-3-4-14)15-5-6-15;/h12-15,17-18H,3-11H2,1-2H3;1H
InChIKeyAKVATSNXICAVHB-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.08
Rot. Bonds6

About N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119760613) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119760613
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC NameN-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C(C1CC1)C1CC1)C1CCNCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-12(13-7-9-18-10-8-13)11-16(20)19(2)17(14-3-4-14)15-5-6-15;/h12-15,17-18H,3-11H2,1-2H3;1H
InChIKeyAKVATSNXICAVHB-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
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-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816024
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N,N-bis(2-methoxyethyl)-3-piperidin-4-ylbutanamide
CID 119672639
N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119760613) is N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(C)C(C1CC1)C1CC1)C1CCNCC1.Cl.
What is the InChIKey of N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is AKVATSNXICAVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-12(13-7-9-18-10-8-13)11-16(20)19(2)17(14-3-4-14)15-5-6-15;/h12-15,17-18H,3-11H2,1-2H3;1H.
What are the key properties of N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119760613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).