2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C22H31FN4O3 — CID 78818597

IUPAC2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CC2)CC1)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c23-19-3-1-18(2-4-19)15-27(20-5-6-20)17-22(29)25-9-7-24(8-10-25)16-21(28)26-11-13-30-14-12-26/h1-4,20H,5-17H2
InChIKeyYPSYKIDNEAULMR-UHFFFAOYSA-N
MW418.51 g/mol
LogP0.79
Rot. Bonds7

About 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78818597) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78818597
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC Name2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CC2)CC1)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c23-19-3-1-18(2-4-19)15-27(20-5-6-20)17-22(29)25-9-7-24(8-10-25)16-21(28)26-11-13-30-14-12-26/h1-4,20H,5-17H2
InChIKeyYPSYKIDNEAULMR-UHFFFAOYSA-N
XLogP0.79
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
CID 43460799
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
5-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38802512
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 34968318
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249
2-[4-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78836885
2-[2-aminoethyl(cyclopropyl)amino]-1-morpholin-4-ylethanone
CID 61349753
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78818597) is 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CC2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is YPSYKIDNEAULMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3/c23-19-3-1-18(2-4-19)15-27(20-5-6-20)17-22(29)25-9-7-24(8-10-25)16-21(28)26-11-13-30-14-12-26/h1-4,20H,5-17H2.
What are the key properties of 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 418.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78818597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).