N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

C18H35ClN2O2 — CID 119817568

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CC(C)C2CCNCC2)C1(C)C.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-13(14-7-9-19-10-8-14)11-16(21)20(5)15-12-18(4,22-6)17(15,2)3;/h13-15,19H,7-12H2,1-6H3;1H
InChIKeyPXALRZFJXYSSBH-UHFFFAOYSA-N
MW346.94 g/mol
LogP3.10
Rot. Bonds5

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119817568) has the molecular formula C18H35ClN2O2 and a molecular weight of 346.94 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119817568
Molecular FormulaC18H35ClN2O2
Molecular Weight346.94 g/mol
Exact Mass346.24
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CC(C)C2CCNCC2)C1(C)C.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-13(14-7-9-19-10-8-14)11-16(21)20(5)15-12-18(4,22-6)17(15,2)3;/h13-15,19H,7-12H2,1-6H3;1H
InChIKeyPXALRZFJXYSSBH-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119791939
N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940408
N,N-bis(2-methoxyethyl)-3-piperidin-4-ylbutanamide
CID 119672639
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816024
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 119891621
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119817568) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is COC1(C)CC(N(C)C(=O)CC(C)C2CCNCC2)C1(C)C.Cl.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is PXALRZFJXYSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.ClH/c1-13(14-7-9-19-10-8-14)11-16(21)20(5)15-12-18(4,22-6)17(15,2)3;/h13-15,19H,7-12H2,1-6H3;1H.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 346.94 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119817568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).