1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone

C19H26ClN3O — CID 59686392

IUPAC1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCC(/C=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O/c20-18-3-1-2-17(14-18)5-4-16-6-10-23(11-7-16)19(24)15-22-12-8-21-9-13-22/h1-5,14,16,21H,6-13,15H2/b5-4+
InChIKeyWNBUZZDOEGQDMT-SNAWJCMRSA-N
MW347.89 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone

1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 59686392) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
PubChem CID59686392
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCC(/C=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O/c20-18-3-1-2-17(14-18)5-4-16-6-10-23(11-7-16)19(24)15-22-12-8-21-9-13-22/h1-5,14,16,21H,6-13,15H2/b5-4+
InChIKeyWNBUZZDOEGQDMT-SNAWJCMRSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone (CID 59686392) is 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)N1CCC(/C=C/c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is WNBUZZDOEGQDMT-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H26ClN3O/c20-18-3-1-2-17(14-18)5-4-16-6-10-23(11-7-16)19(24)15-22-12-8-21-9-13-22/h1-5,14,16,21H,6-13,15H2/b5-4+.
What are the key properties of 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 347.89 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 59686392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).