(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone

C24H29N3O2 — CID 8597142

IUPAC(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(c1ccccc1)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(21-12-6-2-7-13-21)27-18-16-25(17-19-27)22(20-10-4-1-5-11-20)24(29)26-14-8-3-9-15-26/h1-2,4-7,10-13,22H,3,8-9,14-19H2/t22-/m0/s1
InChIKeyLBFPNWLUWCDQKV-QFIPXVFZSA-N
MW391.51 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 8597142) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID8597142
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(c1ccccc1)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(21-12-6-2-7-13-21)27-18-16-25(17-19-27)22(20-10-4-1-5-11-20)24(29)26-14-8-3-9-15-26/h1-2,4-7,10-13,22H,3,8-9,14-19H2/t22-/m0/s1
InChIKeyLBFPNWLUWCDQKV-QFIPXVFZSA-N
XLogP3.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone (CID 8597142) is (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone is O=C(c1ccccc1)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is LBFPNWLUWCDQKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(21-12-6-2-7-13-21)27-18-16-25(17-19-27)22(20-10-4-1-5-11-20)24(29)26-14-8-3-9-15-26/h1-2,4-7,10-13,22H,3,8-9,14-19H2/t22-/m0/s1.
What are the key properties of (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 391.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 8597142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).