N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide

C22H27N3O2 — CID 119286338

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(19-8-4-3-5-9-19)21(26)16-17-11-13-18(14-12-17)24-22(27)20-10-6-7-15-23-20/h3-5,8-9,11-14,20,23H,2,6-7,10,15-16H2,1H3,(H,24,27)
InChIKeyYULWNAUKTKSEPV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide (PubChem CID 119286338) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
PubChem CID119286338
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(19-8-4-3-5-9-19)21(26)16-17-11-13-18(14-12-17)24-22(27)20-10-6-7-15-23-20/h3-5,8-9,11-14,20,23H,2,6-7,10,15-16H2,1H3,(H,24,27)
InChIKeyYULWNAUKTKSEPV-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119298239
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119717935
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 90855570
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide (CID 119286338) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide?
The InChIKey is YULWNAUKTKSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-25(19-8-4-3-5-9-19)21(26)16-17-11-13-18(14-12-17)24-22(27)20-10-6-7-15-23-20/h3-5,8-9,11-14,20,23H,2,6-7,10,15-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119286338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).