N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide

C16H23N3O2 — CID 63128122

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2CC(N)=O)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-2-16(7-9-18-10-8-16)15(21)19-13-6-4-3-5-12(13)11-14(17)20/h3-6,18H,2,7-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyAJGIYBWRBJLSMQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide

N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide (PubChem CID 63128122) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
PubChem CID63128122
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2CC(N)=O)CCNCC1
InChIInChI=1S/C16H23N3O2/c1-2-16(7-9-18-10-8-16)15(21)19-13-6-4-3-5-12(13)11-14(17)20/h3-6,18H,2,7-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyAJGIYBWRBJLSMQ-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127964
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
4-ethyl-N-quinolin-5-ylpiperidine-4-carboxamide
CID 63127284
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide (CID 63128122) is N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2ccccc2CC(N)=O)CCNCC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide?
The InChIKey is AJGIYBWRBJLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-16(7-9-18-10-8-16)15(21)19-13-6-4-3-5-12(13)11-14(17)20/h3-6,18H,2,7-11H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63128122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).