(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

C23H28FN3O2 — CID 92891138

IUPAC(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(F)c3)c2)C1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-23(29)27-11-5-9-20(15-27)18-7-4-8-19(13-18)22(28)25-14-17-6-3-10-21(24)12-17/h3-4,6-8,10,12-13,16,20H,5,9,11,14-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyDYBOIEVPESAKQB-FQEVSTJZSA-N
MW397.49 g/mol
LogP4.05
Rot. Bonds5

About (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 92891138) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID92891138
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(F)c3)c2)C1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-23(29)27-11-5-9-20(15-27)18-7-4-8-19(13-18)22(28)25-14-17-6-3-10-21(24)12-17/h3-4,6-8,10,12-13,16,20H,5,9,11,14-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyDYBOIEVPESAKQB-FQEVSTJZSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
(3R)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872954
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
3-[3-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789015
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 92891138) is (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(F)c3)c2)C1.
What is the InChIKey of (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is DYBOIEVPESAKQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16(2)26-23(29)27-11-5-9-20(15-27)18-7-4-8-19(13-18)22(28)25-14-17-6-3-10-21(24)12-17/h3-4,6-8,10,12-13,16,20H,5,9,11,14-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 92891138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).