N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide

C25H26N4O2 — CID 35857881

IUPACN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(29-16-14-28(15-17-29)19-20-10-12-26-13-11-20)18-27-25(31)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-13H,14-19H2,(H,27,31)
InChIKeyXCBCKVOSUSRRDE-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.82
Rot. Bonds6

About N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide

N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide (PubChem CID 35857881) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
PubChem CID35857881
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(29-16-14-28(15-17-29)19-20-10-12-26-13-11-20)18-27-25(31)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-13H,14-19H2,(H,27,31)
InChIKeyXCBCKVOSUSRRDE-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-benzyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 46943272
N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 59559610
4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
CID 112807670
2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 18125482
N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 31397372
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide (CID 35857881) is N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide is O=C(NCC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The InChIKey is XCBCKVOSUSRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(29-16-14-28(15-17-29)19-20-10-12-26-13-11-20)18-27-25(31)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-13H,14-19H2,(H,27,31).
What are the key properties of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 35857881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).