2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

C23H30ClN5O4 — CID 87356303

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)nc1)NO
InChIInChI=1S/C23H30ClN5O4/c24-19-8-6-18(7-9-19)23(32)10-13-29(14-11-23)22-26-15-17(16-27-22)21(31)25-12-4-2-1-3-5-20(30)28-33/h6-9,15-16,32-33H,1-5,10-14H2,(H,25,31)(H,28,30)
InChIKeyPHOHJDBVOXVDQZ-UHFFFAOYSA-N
MW475.98 g/mol
LogP2.80
Rot. Bonds10

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide (PubChem CID 87356303) has the molecular formula C23H30ClN5O4 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
PubChem CID87356303
Molecular FormulaC23H30ClN5O4
Molecular Weight475.98 g/mol
Exact Mass475.20
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)nc1)NO
InChIInChI=1S/C23H30ClN5O4/c24-19-8-6-18(7-9-19)23(32)10-13-29(14-11-23)22-26-15-17(16-27-22)21(31)25-12-4-2-1-3-5-20(30)28-33/h6-9,15-16,32-33H,1-5,10-14H2,(H,25,31)(H,28,30)
InChIKeyPHOHJDBVOXVDQZ-UHFFFAOYSA-N
XLogP2.80
TPSA127.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide (CID 87356303) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)nc1)NO.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The InChIKey is PHOHJDBVOXVDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O4/c24-19-8-6-18(7-9-19)23(32)10-13-29(14-11-23)22-26-15-17(16-27-22)21(31)25-12-4-2-1-3-5-20(30)28-33/h6-9,15-16,32-33H,1-5,10-14H2,(H,25,31)(H,28,30).
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 2.80, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 87356303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).