N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

C20H36N4O3 — CID 78808617

IUPACN-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-17(20(26)21-15-18-5-3-2-4-6-18)23-9-7-22(8-10-23)16-19(25)24-11-13-27-14-12-24/h17-18H,2-16H2,1H3,(H,21,26)
InChIKeyIPMUWFZFZFGVAJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.55
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (PubChem CID 78808617) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
PubChem CID78808617
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC NameN-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-17(20(26)21-15-18-5-3-2-4-6-18)23-9-7-22(8-10-23)16-19(25)24-11-13-27-14-12-24/h17-18H,2-16H2,1H3,(H,21,26)
InChIKeyIPMUWFZFZFGVAJ-UHFFFAOYSA-N
XLogP0.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (CID 78808617) is N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is CC(C(=O)NCC1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The InChIKey is IPMUWFZFZFGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-17(20(26)21-15-18-5-3-2-4-6-18)23-9-7-22(8-10-23)16-19(25)24-11-13-27-14-12-24/h17-18H,2-16H2,1H3,(H,21,26).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide has a molecular weight of 380.53 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 78808617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).