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

C16H23N3O2 — CID 60981088

IUPACN-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-16(21)14-6-4-8-17-10-14)13-5-3-7-15(9-13)19-12(2)20/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWSQXNZVYOKXTPS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.82
Rot. Bonds4

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

N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 60981088) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
PubChem CID60981088
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-16(21)14-6-4-8-17-10-14)13-5-3-7-15(9-13)19-12(2)20/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWSQXNZVYOKXTPS-UHFFFAOYSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
(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
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide (CID 60981088) is N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is WSQXNZVYOKXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(18-16(21)14-6-4-8-17-10-14)13-5-3-7-15(9-13)19-12(2)20/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60981088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).