N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C23H31ClN2O2 — CID 119779875

IUPACN-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(COc1ccccc1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-18(19-12-14-24-15-13-19)16-23(26)25-22(20-8-4-2-5-9-20)17-27-21-10-6-3-7-11-21;/h2-11,18-19,22,24H,12-17H2,1H3,(H,25,26);1H
InChIKeyIWNLGRIHKIAYAR-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.37
Rot. Bonds8

About N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119779875) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119779875
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC NameN-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(COc1ccccc1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-18(19-12-14-24-15-13-19)16-23(26)25-22(20-8-4-2-5-9-20)17-27-21-10-6-3-7-11-21;/h2-11,18-19,22,24H,12-17H2,1H3,(H,25,26);1H
InChIKeyIWNLGRIHKIAYAR-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate;hydrochloride
CID 119755361
N-(2-phenoxy-1-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 119779882
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119755362

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119779875) is N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NC(COc1ccccc1)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is IWNLGRIHKIAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-18(19-12-14-24-15-13-19)16-23(26)25-22(20-8-4-2-5-9-20)17-27-21-10-6-3-7-11-21;/h2-11,18-19,22,24H,12-17H2,1H3,(H,25,26);1H.
What are the key properties of N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).