1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide

C22H33N3O2 — CID 72860260

IUPAC1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N(C2CCCC2)C1)c1cccc(C)c1
InChIInChI=1S/C22H33N3O2/c1-3-24(20-10-6-7-17(2)15-20)14-13-23-22(27)18-11-12-21(26)25(16-18)19-8-4-5-9-19/h6-7,10,15,18-19H,3-5,8-9,11-14,16H2,1-2H3,(H,23,27)
InChIKeyZBTDYHLWETUNIT-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.12
Rot. Bonds7

About 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72860260) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID72860260
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N(C2CCCC2)C1)c1cccc(C)c1
InChIInChI=1S/C22H33N3O2/c1-3-24(20-10-6-7-17(2)15-20)14-13-23-22(27)18-11-12-21(26)25(16-18)19-8-4-5-9-19/h6-7,10,15,18-19H,3-5,8-9,11-14,16H2,1-2H3,(H,23,27)
InChIKeyZBTDYHLWETUNIT-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide (CID 72860260) is 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide is CCN(CCNC(=O)C1CCC(=O)N(C2CCCC2)C1)c1cccc(C)c1.
What is the InChIKey of 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZBTDYHLWETUNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-24(20-10-6-7-17(2)15-20)14-13-23-22(27)18-11-12-21(26)25(16-18)19-8-4-5-9-19/h6-7,10,15,18-19H,3-5,8-9,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72860260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).