N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide

C24H29FN4O2 — CID 25488911

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1N1CCNC1=O
InChIInChI=1S/C24H29FN4O2/c1-17-9-10-18(14-22(17)29-13-11-26-24(29)31)23(30)27(2)20-7-5-12-28(16-20)15-19-6-3-4-8-21(19)25/h3-4,6,8-10,14,20H,5,7,11-13,15-16H2,1-2H3,(H,26,31)/t20-/m1/s1
InChIKeyMTKXDIRRSFTZQM-HXUWFJFHSA-N
MW424.52 g/mol
LogP3.40
Rot. Bonds5

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 25488911) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID25488911
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1N1CCNC1=O
InChIInChI=1S/C24H29FN4O2/c1-17-9-10-18(14-22(17)29-13-11-26-24(29)31)23(30)27(2)20-7-5-12-28(16-20)15-19-6-3-4-8-21(19)25/h3-4,6,8-10,14,20H,5,7,11-13,15-16H2,1-2H3,(H,26,31)/t20-/m1/s1
InChIKeyMTKXDIRRSFTZQM-HXUWFJFHSA-N
XLogP3.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45188775
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42341590
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 26326522
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 25488911) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1N1CCNC1=O.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is MTKXDIRRSFTZQM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17-9-10-18(14-22(17)29-13-11-26-24(29)31)23(30)27(2)20-7-5-12-28(16-20)15-19-6-3-4-8-21(19)25/h3-4,6,8-10,14,20H,5,7,11-13,15-16H2,1-2H3,(H,26,31)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 25488911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).