1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

C19H27ClN2O2 — CID 110608462

IUPAC1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-17-5-3-4-16(14-17)7-8-21-9-11-22(12-10-21)19(23)15-18-6-1-2-13-24-18/h3-5,14,18H,1-2,6-13,15H2
InChIKeyNSFOWDWUYBLNGR-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110608462) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110608462
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-17-5-3-4-16(14-17)7-8-21-9-11-22(12-10-21)19(23)15-18-6-1-2-13-24-18/h3-5,14,18H,1-2,6-13,15H2
InChIKeyNSFOWDWUYBLNGR-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
3-(3-chlorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122337025
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113075180
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110632671
1-[4-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 71975296
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (CID 110608462) is 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is O=C(CC1CCCCO1)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is NSFOWDWUYBLNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-17-5-3-4-16(14-17)7-8-21-9-11-22(12-10-21)19(23)15-18-6-1-2-13-24-18/h3-5,14,18H,1-2,6-13,15H2.
What are the key properties of 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 350.89 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110608462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).