1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H32N4O2 — CID 72880259

IUPAC1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c1C
InChIInChI=1S/C20H32N4O2/c1-4-24-15(3)18(14(2)22-24)11-12-21-20(26)16-9-10-19(25)23(13-16)17-7-5-6-8-17/h16-17H,4-13H2,1-3H3,(H,21,26)
InChIKeyLKNMDCIGHZQVJK-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.36
Rot. Bonds6

About 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72880259) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID72880259
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c1C
InChIInChI=1S/C20H32N4O2/c1-4-24-15(3)18(14(2)22-24)11-12-21-20(26)16-9-10-19(25)23(13-16)17-7-5-6-8-17/h16-17H,4-13H2,1-3H3,(H,21,26)
InChIKeyLKNMDCIGHZQVJK-UHFFFAOYSA-N
XLogP2.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 72880259) is 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c1C.
What is the InChIKey of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LKNMDCIGHZQVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-24-15(3)18(14(2)22-24)11-12-21-20(26)16-9-10-19(25)23(13-16)17-7-5-6-8-17/h16-17H,4-13H2,1-3H3,(H,21,26).
What are the key properties of 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72880259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).