3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride

C19H31ClN2O2 — CID 119742885

IUPAC3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
SMILESCC(C)OCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)23-13-16-4-6-18(7-5-16)21-19(22)12-15(3)17-8-10-20-11-9-17;/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22);1H
InChIKeyZTDDBFWSARLFBD-UHFFFAOYSA-N
MW354.92 g/mol
LogP4.00
Rot. Bonds7

About 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride (PubChem CID 119742885) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
PubChem CID119742885
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
SMILESCC(C)OCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14(2)23-13-16-4-6-18(7-5-16)21-19(22)12-15(3)17-8-10-20-11-9-17;/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22);1H
InChIKeyZTDDBFWSARLFBD-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride (CID 119742885) is 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride is CC(C)OCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride?
The InChIKey is ZTDDBFWSARLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-14(2)23-13-16-4-6-18(7-5-16)21-19(22)12-15(3)17-8-10-20-11-9-17;/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119742885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).