(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one

C23H30N4O — CID 9250288

IUPAC(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c1-20(24-12-14-25(15-13-24)21-8-4-2-5-9-21)23(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3/t20-/m1/s1
InChIKeyLMXKDIONDUQMGQ-HXUWFJFHSA-N
MW378.52 g/mol
LogP2.55
Rot. Bonds4

About (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 9250288) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID9250288
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c1-20(24-12-14-25(15-13-24)21-8-4-2-5-9-21)23(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3/t20-/m1/s1
InChIKeyLMXKDIONDUQMGQ-HXUWFJFHSA-N
XLogP2.55
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 46571664
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303
2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
CID 174726722
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 46055863
1-(4-phenylpiperazin-1-yl)-2-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167962160

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one (CID 9250288) is (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one is C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is LMXKDIONDUQMGQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O/c1-20(24-12-14-25(15-13-24)21-8-4-2-5-9-21)23(28)27-18-16-26(17-19-27)22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one?
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 378.52 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 9250288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).