N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H27ClN2O3 — CID 119699863

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(15-4-3-7-19-10-15)8-18(21)20-13(2)14-5-6-16-17(9-14)23-11-22-16;/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyIJJINADSENYPKH-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119699863) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119699863
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(15-4-3-7-19-10-15)8-18(21)20-13(2)14-5-6-16-17(9-14)23-11-22-16;/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyIJJINADSENYPKH-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119699863) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is IJJINADSENYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-12(15-4-3-7-19-10-15)8-18(21)20-13(2)14-5-6-16-17(9-14)23-11-22-16;/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119699863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).