1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one

C24H25ClN4O — CID 172590781

IUPAC1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C24H25ClN4O/c1-2-22(30)29-13-11-20(12-14-29)27-24-26-16-21(25)23(28-24)19-10-6-9-18(15-19)17-7-4-3-5-8-17/h3-10,15-16,20H,2,11-14H2,1H3,(H,26,27,28)
InChIKeyHVNISVSEARNCOE-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.28
Rot. Bonds5

About 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one

1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 172590781) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID172590781
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C24H25ClN4O/c1-2-22(30)29-13-11-20(12-14-29)27-24-26-16-21(25)23(28-24)19-10-6-9-18(15-19)17-7-4-3-5-8-17/h3-10,15-16,20H,2,11-14H2,1H3,(H,26,27,28)
InChIKeyHVNISVSEARNCOE-UHFFFAOYSA-N
XLogP5.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042
methyl 2-[4-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 172592335
tert-butyl N-[3-[4-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 172589871
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
CID 110819130
3-[5-[1-[1-[2-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 172591419
1-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-(methylamino)ethanone;formic acid
CID 161183522
(4-aminophenyl)-[4-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 118024502
[4-[[5-chloro-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
CID 118025291
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590903

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one (CID 172590781) is 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1.
What is the InChIKey of 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is HVNISVSEARNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-2-22(30)29-13-11-20(12-14-29)27-24-26-16-21(25)23(28-24)19-10-6-9-18(15-19)17-7-4-3-5-8-17/h3-10,15-16,20H,2,11-14H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 420.94 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 172590781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).