N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

C19H31N5O3 — CID 18208029

IUPACN-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)CCCCC1
InChIInChI=1S/C19H31N5O3/c20-16-19(4-2-1-3-5-19)21-17(25)14-22-6-8-23(9-7-22)15-18(26)24-10-12-27-13-11-24/h1-15H2,(H,21,25)
InChIKeyNQQRPGHWVYNGFW-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.19
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (PubChem CID 18208029) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
PubChem CID18208029
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)CCCCC1
InChIInChI=1S/C19H31N5O3/c20-16-19(4-2-1-3-5-19)21-17(25)14-22-6-8-23(9-7-22)15-18(26)24-10-12-27-13-11-24/h1-15H2,(H,21,25)
InChIKeyNQQRPGHWVYNGFW-UHFFFAOYSA-N
XLogP-0.19
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47281127
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (CID 18208029) is N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The InChIKey is NQQRPGHWVYNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c20-16-19(4-2-1-3-5-19)21-17(25)14-22-6-8-23(9-7-22)15-18(26)24-10-12-27-13-11-24/h1-15H2,(H,21,25).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18208029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).