N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide

C23H27FN4O3 — CID 112835191

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C23H27FN4O3/c24-21-7-2-1-6-20(21)22(30)27-10-8-17(9-11-27)25-23(31)28-14-12-26(13-15-28)18-4-3-5-19(29)16-18/h1-7,16-17,29H,8-15H2,(H,25,31)
InChIKeyXHUPJSRDXOYUDO-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 112835191) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID112835191
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C23H27FN4O3/c24-21-7-2-1-6-20(21)22(30)27-10-8-17(9-11-27)25-23(31)28-14-12-26(13-15-28)18-4-3-5-19(29)16-18/h1-7,16-17,29H,8-15H2,(H,25,31)
InChIKeyXHUPJSRDXOYUDO-UHFFFAOYSA-N
XLogP2.67
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide (CID 112835191) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is XHUPJSRDXOYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-21-7-2-1-6-20(21)22(30)27-10-8-17(9-11-27)25-23(31)28-14-12-26(13-15-28)18-4-3-5-19(29)16-18/h1-7,16-17,29H,8-15H2,(H,25,31).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).