N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide

C16H24N2O2 — CID 119301559

IUPACN-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-4-6-13(10-15)12(2)18-16(19)14-7-5-9-17-11-14/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyJDBVPTYRAWYOCX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide

N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 119301559) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID119301559
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-4-6-13(10-15)12(2)18-16(19)14-7-5-9-17-11-14/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyJDBVPTYRAWYOCX-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide (CID 119301559) is N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide is CCOc1cccc(C(C)NC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is JDBVPTYRAWYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-8-4-6-13(10-15)12(2)18-16(19)14-7-5-9-17-11-14/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119301559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).