(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide

C26H27N3O3 — CID 31375794

IUPAC(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c1-20(28-16-18-29(19-17-28)26(31)21-8-4-2-5-9-21)25(30)27-22-12-14-24(15-13-22)32-23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyFTTMSKBSUJWBFV-HXUWFJFHSA-N
MW429.52 g/mol
LogP4.26
Rot. Bonds6

About (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide

(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 31375794) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID31375794
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c1-20(28-16-18-29(19-17-28)26(31)21-8-4-2-5-9-21)25(30)27-22-12-14-24(15-13-22)32-23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyFTTMSKBSUJWBFV-HXUWFJFHSA-N
XLogP4.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771225
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide (CID 31375794) is (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide is C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is FTTMSKBSUJWBFV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-20(28-16-18-29(19-17-28)26(31)21-8-4-2-5-9-21)25(30)27-22-12-14-24(15-13-22)32-23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H,27,30)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 31375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).