N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C20H25ClN2O2 — CID 119313460

IUPACN-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15(22-20(23)17-6-5-13-21-14-17)16-9-11-19(12-10-16)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,21H,5-6,13-14H2,1H3,(H,22,23);1H
InChIKeyJXSGYJZWSAFZBV-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119313460) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119313460
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15(22-20(23)17-6-5-13-21-14-17)16-9-11-19(12-10-16)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,21H,5-6,13-14H2,1H3,(H,22,23);1H
InChIKeyJXSGYJZWSAFZBV-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119313460) is N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JXSGYJZWSAFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15(22-20(23)17-6-5-13-21-14-17)16-9-11-19(12-10-16)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,21H,5-6,13-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119313460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).