(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

C23H27F2N3O2 — CID 92891212

IUPAC(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1
InChIInChI=1S/C23H27F2N3O2/c1-15(2)27-23(30)28-8-4-7-19(14-28)17-5-3-6-18(11-17)22(29)26-13-16-9-20(24)12-21(25)10-16/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyPZMQRVXRWSFWNL-IBGZPJMESA-N
MW415.48 g/mol
LogP4.19
Rot. Bonds5

About (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 92891212) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID92891212
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC Name(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1
InChIInChI=1S/C23H27F2N3O2/c1-15(2)27-23(30)28-8-4-7-19(14-28)17-5-3-6-18(11-17)22(29)26-13-16-9-20(24)12-21(25)10-16/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyPZMQRVXRWSFWNL-IBGZPJMESA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891138
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)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
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
(3S)-N-methyl-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872985

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 92891212) is (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)C1.
What is the InChIKey of (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is PZMQRVXRWSFWNL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-15(2)27-23(30)28-8-4-7-19(14-28)17-5-3-6-18(11-17)22(29)26-13-16-9-20(24)12-21(25)10-16/h3,5-6,9-12,15,19H,4,7-8,13-14H2,1-2H3,(H,26,29)(H,27,30)/t19-/m0/s1.
What are the key properties of (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 92891212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).