N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H33ClN2O2 — CID 119739682

IUPACN-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCOCCc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-17(19-9-5-11-21-16-19)15-20(23)22-12-6-13-24-14-10-18-7-3-2-4-8-18;/h2-4,7-8,17,19,21H,5-6,9-16H2,1H3,(H,22,23);1H
InChIKeyCURMUJYDJQXMJS-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.20
Rot. Bonds10

About N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119739682) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119739682
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCOCCc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-17(19-9-5-11-21-16-19)15-20(23)22-12-6-13-24-14-10-18-7-3-2-4-8-18;/h2-4,7-8,17,19,21H,5-6,9-16H2,1H3,(H,22,23);1H
InChIKeyCURMUJYDJQXMJS-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119739682) is N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCCCOCCc1ccccc1)C1CCCNC1.Cl.
What is the InChIKey of N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is CURMUJYDJQXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-17(19-9-5-11-21-16-19)15-20(23)22-12-6-13-24-14-10-18-7-3-2-4-8-18;/h2-4,7-8,17,19,21H,5-6,9-16H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119739682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).