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

C19H31ClN2O2 — CID 119718287

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-23-14-17-6-4-16(5-7-17)13-21-19(22)12-15(2)18-8-10-20-11-9-18;/h4-7,15,18,20H,3,8-14H2,1-2H3,(H,21,22);1H
InChIKeyPIWUSXVAURYERR-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.29
Rot. Bonds8

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

N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119718287) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119718287
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-23-14-17-6-4-16(5-7-17)13-21-19(22)12-15(2)18-8-10-20-11-9-18;/h4-7,15,18,20H,3,8-14H2,1-2H3,(H,21,22);1H
InChIKeyPIWUSXVAURYERR-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119718287) is N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CCOCc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is PIWUSXVAURYERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-3-23-14-17-6-4-16(5-7-17)13-21-19(22)12-15(2)18-8-10-20-11-9-18;/h4-7,15,18,20H,3,8-14H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).