N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C21H37N5O2 — CID 18279749

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)N(C)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C21H37N5O2/c1-17(2)14-23-19(27)15-25-10-12-26(13-11-25)18(3)20(28)24(4)21(16-22)8-6-5-7-9-21/h17-18H,5-15H2,1-4H3,(H,23,27)
InChIKeyGDPRHJGTDQFVIR-UHFFFAOYSA-N
MW391.56 g/mol
LogP1.45
Rot. Bonds7

About N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 18279749) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID18279749
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(C)CNC(=O)CN1CCN(C(C)C(=O)N(C)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C21H37N5O2/c1-17(2)14-23-19(27)15-25-10-12-26(13-11-25)18(3)20(28)24(4)21(16-22)8-6-5-7-9-21/h17-18H,5-15H2,1-4H3,(H,23,27)
InChIKeyGDPRHJGTDQFVIR-UHFFFAOYSA-N
XLogP1.45
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 18279749) is N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CC(C)CNC(=O)CN1CCN(C(C)C(=O)N(C)C2(C#N)CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is GDPRHJGTDQFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-17(2)14-23-19(27)15-25-10-12-26(13-11-25)18(3)20(28)24(4)21(16-22)8-6-5-7-9-21/h17-18H,5-15H2,1-4H3,(H,23,27).
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 391.56 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 18279749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).