1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one

C20H27N5O2 — CID 126820172

IUPAC1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N5O2/c1-16(20(26)25-10-12-27-13-11-25)24-8-6-23(7-9-24)15-17-14-21-18-4-2-3-5-19(18)22-17/h2-5,14,16H,6-13,15H2,1H3
InChIKeyNNOULBFRJMEHOU-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.99
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one

1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 126820172) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID126820172
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N5O2/c1-16(20(26)25-10-12-27-13-11-25)24-8-6-23(7-9-24)15-17-14-21-18-4-2-3-5-19(18)22-17/h2-5,14,16H,6-13,15H2,1H3
InChIKeyNNOULBFRJMEHOU-UHFFFAOYSA-N
XLogP0.99
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
CID 173270392
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95303672
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264
N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904487
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 92766789
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 126820172) is 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCOCC1)N1CCN(Cc2cnc3ccccc3n2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is NNOULBFRJMEHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16(20(26)25-10-12-27-13-11-25)24-8-6-23(7-9-24)15-17-14-21-18-4-2-3-5-19(18)22-17/h2-5,14,16H,6-13,15H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one?
1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 369.47 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 126820172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).