2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

C20H30N4O3 — CID 86918685

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-22-7-9-23(10-8-22)16-19(25)21-15-17-3-5-18(6-4-17)20(26)24-11-13-27-14-12-24/h3-6H,2,7-16H2,1H3,(H,21,25)
InChIKeyHOLDDPOOAAKDGD-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.41
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (PubChem CID 86918685) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
PubChem CID86918685
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-22-7-9-23(10-8-22)16-19(25)21-15-17-3-5-18(6-4-17)20(26)24-11-13-27-14-12-24/h3-6H,2,7-16H2,1H3,(H,21,25)
InChIKeyHOLDDPOOAAKDGD-UHFFFAOYSA-N
XLogP0.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 138999092
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32863739
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (CID 86918685) is 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is CCN1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The InChIKey is HOLDDPOOAAKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-22-7-9-23(10-8-22)16-19(25)21-15-17-3-5-18(6-4-17)20(26)24-11-13-27-14-12-24/h3-6H,2,7-16H2,1H3,(H,21,25).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 86918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).