N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

C25H26N4O2 — CID 26009471

IUPACN-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(N[C@@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c30-24(29-17-15-28(16-18-29)23-13-7-8-14-26-23)19-22(20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,27,31)/t22-/m0/s1
InChIKeyHLFDGXDTNXLKOK-QFIPXVFZSA-N
MW414.51 g/mol
LogP3.29
Rot. Bonds6

About N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 26009471) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID26009471
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(N[C@@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c30-24(29-17-15-28(16-18-29)23-13-7-8-14-26-23)19-22(20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,27,31)/t22-/m0/s1
InChIKeyHLFDGXDTNXLKOK-QFIPXVFZSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 166180006
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 31397372
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
2-chloro-N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55539180
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (CID 26009471) is N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is O=C(N[C@@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is HLFDGXDTNXLKOK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(29-17-15-28(16-18-29)23-13-7-8-14-26-23)19-22(20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22H,15-19H2,(H,27,31)/t22-/m0/s1.
What are the key properties of N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 26009471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).