N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H31ClN2O2 — CID 119714898

IUPACN-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)COc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-8-4-7-17(11-18)21-19(22)10-15(3)16-6-5-9-20-12-16;/h4,7-8,11,14-16,20H,5-6,9-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyUXIYANJXGHHREI-UHFFFAOYSA-N
MW354.92 g/mol
LogP4.11
Rot. Bonds7

About N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119714898) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119714898
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)COc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-8-4-7-17(11-18)21-19(22)10-15(3)16-6-5-9-20-12-16;/h4,7-8,11,14-16,20H,5-6,9-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyUXIYANJXGHHREI-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119714898) is N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(C)COc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UXIYANJXGHHREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-8-4-7-17(11-18)21-19(22)10-15(3)16-6-5-9-20-12-16;/h4,7-8,11,14-16,20H,5-6,9-10,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119714898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).