N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

C22H40N4O2 — CID 24719281

IUPACN-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC1CCCCN1C(=O)C(C1CCCC1)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C22H40N4O2/c1-17-9-7-8-12-26(17)20(27)19(18-10-5-6-11-18)24-13-15-25(16-14-24)21(28)23-22(2,3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyHETGZSDAHAGFGU-UHFFFAOYSA-N
MW392.59 g/mol
LogP3.07
Rot. Bonds3

About N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 24719281) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID24719281
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC NameN-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC1CCCCN1C(=O)C(C1CCCC1)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C22H40N4O2/c1-17-9-7-8-12-26(17)20(27)19(18-10-5-6-11-18)24-13-15-25(16-14-24)21(28)23-22(2,3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyHETGZSDAHAGFGU-UHFFFAOYSA-N
XLogP3.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (CID 24719281) is N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is CC1CCCCN1C(=O)C(C1CCCC1)N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is HETGZSDAHAGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-17-9-7-8-12-26(17)20(27)19(18-10-5-6-11-18)24-13-15-25(16-14-24)21(28)23-22(2,3)4/h17-19H,5-16H2,1-4H3,(H,23,28).
What are the key properties of N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 24719281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).