3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide

C18H26N2O2 — CID 109050358

IUPAC3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-8-7-9-15(13-14)18(22)20-12-6-5-10-16(20)4-2/h7-9,13,16H,3-6,10-12H2,1-2H3,(H,19,21)
InChIKeyNDLQXRVRWJUKSY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.23
Rot. Bonds5

About 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide

3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide (PubChem CID 109050358) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
PubChem CID109050358
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-8-7-9-15(13-14)18(22)20-12-6-5-10-16(20)4-2/h7-9,13,16H,3-6,10-12H2,1-2H3,(H,19,21)
InChIKeyNDLQXRVRWJUKSY-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide (CID 109050358) is 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide?
The InChIKey is NDLQXRVRWJUKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-8-7-9-15(13-14)18(22)20-12-6-5-10-16(20)4-2/h7-9,13,16H,3-6,10-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide?
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide is sourced from PubChem (CID 109050358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).