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

C18H29ClN2O2 — CID 119714483

IUPACN-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-22-17-6-4-5-15(12-17)13-20-18(21)11-14(2)16-7-9-19-10-8-16;/h4-6,12,14,16,19H,3,7-11,13H2,1-2H3,(H,20,21);1H
InChIKeyYPKSSTHNCOEDOI-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.15
Rot. Bonds7

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

N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119714483) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119714483
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-22-17-6-4-5-15(12-17)13-20-18(21)11-14(2)16-7-9-19-10-8-16;/h4-6,12,14,16,19H,3,7-11,13H2,1-2H3,(H,20,21);1H
InChIKeyYPKSSTHNCOEDOI-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119731433
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119714483) is N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CCOc1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YPKSSTHNCOEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-22-17-6-4-5-15(12-17)13-20-18(21)11-14(2)16-7-9-19-10-8-16;/h4-6,12,14,16,19H,3,7-11,13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119714483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).