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

C19H31ClN2O2 — CID 119714831

IUPACN-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)COc1ccccc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-9-5-4-8-17(18)21-19(22)11-15(3)16-7-6-10-20-12-16;/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3,(H,21,22);1H
InChIKeyGKBXZCQPJGSSKE-UHFFFAOYSA-N
MW354.92 g/mol
LogP4.11
Rot. Bonds7

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

N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119714831) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119714831
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)COc1ccccc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-9-5-4-8-17(18)21-19(22)11-15(3)16-7-6-10-20-12-16;/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3,(H,21,22);1H
InChIKeyGKBXZCQPJGSSKE-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-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119714831) is N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(C)COc1ccccc1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GKBXZCQPJGSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-14(2)13-23-18-9-5-4-8-17(18)21-19(22)11-15(3)16-7-6-10-20-12-16;/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(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-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119714831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).