N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119273576

IUPACN-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(OCCCNC(=O)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-14(15-7-3-2-4-8-15)21-12-6-11-19-17(20)16-9-5-10-18-13-16;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3,(H,19,20);1H
InChIKeyXAFFEFXSPUWDJY-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.69
Rot. Bonds7

About N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride

N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119273576) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119273576
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(OCCCNC(=O)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-14(15-7-3-2-4-8-15)21-12-6-11-19-17(20)16-9-5-10-18-13-16;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3,(H,19,20);1H
InChIKeyXAFFEFXSPUWDJY-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.69
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

3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
CID 97089035
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
CID 119294119
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[3-(1-phenylethoxy)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119273555
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride (CID 119273576) is N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride is CC(OCCCNC(=O)C1CCCNC1)c1ccccc1.Cl.
What is the InChIKey of N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XAFFEFXSPUWDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-14(15-7-3-2-4-8-15)21-12-6-11-19-17(20)16-9-5-10-18-13-16;/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119273576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).