3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide

C17H25N3O2 — CID 50788867

IUPAC3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C17H25N3O2/c1-4-18-17(22)20-10-6-9-15(12-20)13-7-5-8-14(11-13)16(21)19(2)3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3,(H,18,22)
InChIKeyRTQHMDWIOUAGBP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds3

About 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 50788867) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID50788867
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C17H25N3O2/c1-4-18-17(22)20-10-6-9-15(12-20)13-7-5-8-14(11-13)16(21)19(2)3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3,(H,18,22)
InChIKeyRTQHMDWIOUAGBP-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
(3R)-3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92872896
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788876
(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891112

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide (CID 50788867) is 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is RTQHMDWIOUAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-18-17(22)20-10-6-9-15(12-20)13-7-5-8-14(11-13)16(21)19(2)3/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3,(H,18,22).
What are the key properties of 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 50788867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).