1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C25H33FN6O2 — CID 55824177

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H33FN6O2/c26-22-7-5-20(6-8-22)18-23(33)32-13-1-4-21(19-32)24(34)27-11-3-12-30-14-16-31(17-15-30)25-28-9-2-10-29-25/h2,5-10,21H,1,3-4,11-19H2,(H,27,34)
InChIKeyMHNKTILBLOKDDZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.73
Rot. Bonds8

About 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 55824177) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID55824177
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H33FN6O2/c26-22-7-5-20(6-8-22)18-23(33)32-13-1-4-21(19-32)24(34)27-11-3-12-30-14-16-31(17-15-30)25-28-9-2-10-29-25/h2,5-10,21H,1,3-4,11-19H2,(H,27,34)
InChIKeyMHNKTILBLOKDDZ-UHFFFAOYSA-N
XLogP1.73
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide 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

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55743212
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292
1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 55791171
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55933319
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55958398
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
2-(4-fluorophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540021
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 55824177) is 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is MHNKTILBLOKDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c26-22-7-5-20(6-8-22)18-23(33)32-13-1-4-21(19-32)24(34)27-11-3-12-30-14-16-31(17-15-30)25-28-9-2-10-29-25/h2,5-10,21H,1,3-4,11-19H2,(H,27,34).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 55824177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).