3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

C29H33N5O2 — CID 23600523

IUPAC3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C29H33N5O2/c35-26(13-12-24-8-3-1-4-9-24)32-18-14-29(15-19-32,25-10-5-2-6-11-25)27(36)33-20-22-34(23-21-33)28-30-16-7-17-31-28/h1-11,16-17H,12-15,18-23H2
InChIKeyXJGCBKBMTIBYIE-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.32
Rot. Bonds6

About 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 23600523) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID23600523
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C29H33N5O2/c35-26(13-12-24-8-3-1-4-9-24)32-18-14-29(15-19-32,25-10-5-2-6-11-25)27(36)33-20-22-34(23-21-33)28-30-16-7-17-31-28/h1-11,16-17H,12-15,18-23H2
InChIKeyXJGCBKBMTIBYIE-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one
CID 23600348
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 22240919
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 23600523) is 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)(c2ccccc2)CC1.
What is the InChIKey of 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is XJGCBKBMTIBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-26(13-12-24-8-3-1-4-9-24)32-18-14-29(15-19-32,25-10-5-2-6-11-25)27(36)33-20-22-34(23-21-33)28-30-16-7-17-31-28/h1-11,16-17H,12-15,18-23H2.
What are the key properties of 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 483.62 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 23600523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).