N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide

C26H28N4O2 — CID 31397372

IUPACN-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(N[C@H](CC(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(30-17-15-29(16-18-30)20-21-11-13-27-14-12-21)19-24(22-7-3-1-4-8-22)28-26(32)23-9-5-2-6-10-23/h1-14,24H,15-20H2,(H,28,32)/t24-/m1/s1
InChIKeyXCTGTOSMSNCQDB-XMMPIXPASA-N
MW428.54 g/mol
LogP3.29
Rot. Bonds7

About N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide

N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide (PubChem CID 31397372) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
PubChem CID31397372
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(N[C@H](CC(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(30-17-15-29(16-18-30)20-21-11-13-27-14-12-21)19-24(22-7-3-1-4-8-22)28-26(32)23-9-5-2-6-10-23/h1-14,24H,15-20H2,(H,28,32)/t24-/m1/s1
InChIKeyXCTGTOSMSNCQDB-XMMPIXPASA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 31475605
N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 166180006
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[(1S)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]acetamide
CID 9226133
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide (CID 31397372) is N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide is O=C(N[C@H](CC(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is XCTGTOSMSNCQDB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(30-17-15-29(16-18-30)20-21-11-13-27-14-12-21)19-24(22-7-3-1-4-8-22)28-26(32)23-9-5-2-6-10-23/h1-14,24H,15-20H2,(H,28,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide?
N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 31397372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).