(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

C17H24ClN3O2 — CID 113073693

IUPAC(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-16-3-1-15(2-4-16)17(22)21-9-7-19(8-10-21)5-6-20-11-13-23-14-12-20/h1-4H,5-14H2
InChIKeyKAIWBMVTCBLCNI-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.43
Rot. Bonds4

About (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 113073693) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID113073693
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-16-3-1-15(2-4-16)17(22)21-9-7-19(8-10-21)5-6-20-11-13-23-14-12-20/h1-4H,5-14H2
InChIKeyKAIWBMVTCBLCNI-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113073702
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
(4-chlorophenyl)-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053623

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (CID 113073693) is (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is KAIWBMVTCBLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-16-3-1-15(2-4-16)17(22)21-9-7-19(8-10-21)5-6-20-11-13-23-14-12-20/h1-4H,5-14H2.
What are the key properties of (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 337.85 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113073693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).