1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide

C19H28N4O3 — CID 48937237

IUPAC1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C19H28N4O3/c1-4-20-18(25)15-8-6-10-23(12-15)13-17(24)21-16-9-5-7-14(11-16)19(26)22(2)3/h5,7,9,11,15H,4,6,8,10,12-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyRVTXWECTSIHSTF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.17
Rot. Bonds6

About 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide

1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 48937237) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
PubChem CID48937237
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C19H28N4O3/c1-4-20-18(25)15-8-6-10-23(12-15)13-17(24)21-16-9-5-7-14(11-16)19(26)22(2)3/h5,7,9,11,15H,4,6,8,10,12-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyRVTXWECTSIHSTF-UHFFFAOYSA-N
XLogP1.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 87017774
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
CID 48938107
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 166276577

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide (CID 48937237) is 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is RVTXWECTSIHSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-20-18(25)15-8-6-10-23(12-15)13-17(24)21-16-9-5-7-14(11-16)19(26)22(2)3/h5,7,9,11,15H,4,6,8,10,12-13H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide?
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 48937237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).