(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C17H24ClN3O2 — CID 92984644

IUPAC(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-14(17(22)21-9-11-23-12-10-21)19-5-7-20(8-6-19)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3/t14-/m0/s1
InChIKeyULGJXFWTQHCCET-AWEZNQCLSA-N
MW337.85 g/mol
LogP1.71
Rot. Bonds3

About (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 92984644) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID92984644
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-14(17(22)21-9-11-23-12-10-21)19-5-7-20(8-6-19)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3/t14-/m0/s1
InChIKeyULGJXFWTQHCCET-AWEZNQCLSA-N
XLogP1.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 34950568
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815669
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
2-[4-[4-(3-chlorophenyl)oxane-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 92984644) is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ULGJXFWTQHCCET-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-14(17(22)21-9-11-23-12-10-21)19-5-7-20(8-6-19)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 337.85 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92984644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).