(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

C23H26ClFN4O2 — CID 51950903

IUPAC(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C23H26ClFN4O2/c24-18-7-1-4-10-21(18)27-12-14-28(15-13-27)22(30)17-6-5-11-29(16-17)23(31)26-20-9-3-2-8-19(20)25/h1-4,7-10,17H,5-6,11-16H2,(H,26,31)/t17-/m1/s1
InChIKeyXTAZTHWLHUAKKO-QGZVFWFLSA-N
MW444.94 g/mol
LogP4.07
Rot. Bonds3

About (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 51950903) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID51950903
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C23H26ClFN4O2/c24-18-7-1-4-10-21(18)27-12-14-28(15-13-27)22(30)17-6-5-11-29(16-17)23(31)26-20-9-3-2-8-19(20)25/h1-4,7-10,17H,5-6,11-16H2,(H,26,31)/t17-/m1/s1
InChIKeyXTAZTHWLHUAKKO-QGZVFWFLSA-N
XLogP4.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 51950903) is (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is XTAZTHWLHUAKKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c24-18-7-1-4-10-21(18)27-12-14-28(15-13-27)22(30)17-6-5-11-29(16-17)23(31)26-20-9-3-2-8-19(20)25/h1-4,7-10,17H,5-6,11-16H2,(H,26,31)/t17-/m1/s1.
What are the key properties of (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 51950903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).