[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone

C18H26ClN3O2 — CID 110413923

IUPAC[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-17-5-1-3-16(15-17)4-2-6-20-7-9-21(10-8-20)18(23)22-11-13-24-14-12-22/h1,3,5,15H,2,4,6-14H2
InChIKeyJTTNWKZAFBIYPN-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.34
Rot. Bonds4

About [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110413923) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110413923
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(CCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-17-5-1-3-16(15-17)4-2-6-20-7-9-21(10-8-20)18(23)22-11-13-24-14-12-22/h1,3,5,15H,2,4,6-14H2
InChIKeyJTTNWKZAFBIYPN-UHFFFAOYSA-N
XLogP2.34
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
CID 69457440
N-[(3-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)morpholine-4-carboxamide
CID 1248220
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 110413923) is [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(CCCc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is JTTNWKZAFBIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c19-17-5-1-3-16(15-17)4-2-6-20-7-9-21(10-8-20)18(23)22-11-13-24-14-12-22/h1,3,5,15H,2,4,6-14H2.
What are the key properties of [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 351.88 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110413923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).