N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C25H24Cl2N4O2 — CID 166180006

IUPACN-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24Cl2N4O2/c26-20-15-21(27)24(28-17-20)31-13-11-30(12-14-31)23(32)16-22(18-7-3-1-4-8-18)29-25(33)19-9-5-2-6-10-19/h1-10,15,17,22H,11-14,16H2,(H,29,33)
InChIKeyYYIKTDRLKHFXBN-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.60
Rot. Bonds6

About N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 166180006) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID166180006
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC NameN-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24Cl2N4O2/c26-20-15-21(27)24(28-17-20)31-13-11-30(12-14-31)23(32)16-22(18-7-3-1-4-8-18)29-25(33)19-9-5-2-6-10-19/h1-10,15,17,22H,11-14,16H2,(H,29,33)
InChIKeyYYIKTDRLKHFXBN-UHFFFAOYSA-N
XLogP4.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 87006631
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-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
3-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 119844408
2-chloro-N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55539180
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
N-[1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55992110
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119400258
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 166180006) is N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is O=C(NC(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is YYIKTDRLKHFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c26-20-15-21(27)24(28-17-20)31-13-11-30(12-14-31)23(32)16-22(18-7-3-1-4-8-18)29-25(33)19-9-5-2-6-10-19/h1-10,15,17,22H,11-14,16H2,(H,29,33).
What are the key properties of N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 483.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 166180006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).