N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

C17H27ClN2O2 — CID 119675421

IUPACN-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(20)19-12-15-5-3-4-6-16(15)21-2;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyKVDQNBFUWRANOJ-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.76
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119675421) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119675421
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(20)19-12-15-5-3-4-6-16(15)21-2;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyKVDQNBFUWRANOJ-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119675421) is N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is COc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is KVDQNBFUWRANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(20)19-12-15-5-3-4-6-16(15)21-2;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119675421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).