N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide

C20H37N5O2 — CID 655271

IUPACN-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1
InChIInChI=1S/C20H37N5O2/c26-19(22-17-7-3-1-4-8-17)21-11-12-24-13-15-25(16-14-24)20(27)23-18-9-5-2-6-10-18/h17-18H,1-16H2,(H,23,27)(H2,21,22,26)
InChIKeyWKHQOUXBQBSIMK-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.28
Rot. Bonds5

About N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide

N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide (PubChem CID 655271) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide
PubChem CID655271
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC NameN-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1
InChIInChI=1S/C20H37N5O2/c26-19(22-17-7-3-1-4-8-17)21-11-12-24-13-15-25(16-14-24)20(27)23-18-9-5-2-6-10-18/h17-18H,1-16H2,(H,23,27)(H2,21,22,26)
InChIKeyWKHQOUXBQBSIMK-UHFFFAOYSA-N
XLogP2.28
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide (CID 655271) is N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide is O=C(NCCN1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is WKHQOUXBQBSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c26-19(22-17-7-3-1-4-8-17)21-11-12-24-13-15-25(16-14-24)20(27)23-18-9-5-2-6-10-18/h17-18H,1-16H2,(H,23,27)(H2,21,22,26).
What are the key properties of N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 655271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).