N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H25ClN2O2 — CID 119670993

IUPACN-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-4-3-9-17-11-13)10-16(19)18-14-5-7-15(20-2)8-6-14;/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19);1H
InChIKeyGQZALUMIJZIPJD-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.08
Rot. Bonds5

About N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119670993) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119670993
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-4-3-9-17-11-13)10-16(19)18-14-5-7-15(20-2)8-6-14;/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19);1H
InChIKeyGQZALUMIJZIPJD-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119783667

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119670993) is N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GQZALUMIJZIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(13-4-3-9-17-11-13)10-16(19)18-14-5-7-15(20-2)8-6-14;/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119670993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).