(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C23H23FN4O — CID 95055768

IUPAC(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C23H23FN4O/c24-20-10-4-8-18(14-20)22-25-12-11-21(27-22)28-13-5-9-19(16-28)23(29)26-15-17-6-2-1-3-7-17/h1-4,6-8,10-12,14,19H,5,9,13,15-16H2,(H,26,29)/t19-/m1/s1
InChIKeyVVLQLGYPQJFJAZ-LJQANCHMSA-N
MW390.46 g/mol
LogP3.82
Rot. Bonds5

About (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 95055768) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID95055768
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C23H23FN4O/c24-20-10-4-8-18(14-20)22-25-12-11-21(27-22)28-13-5-9-19(16-28)23(29)26-15-17-6-2-1-3-7-17/h1-4,6-8,10-12,14,19H,5,9,13,15-16H2,(H,26,29)/t19-/m1/s1
InChIKeyVVLQLGYPQJFJAZ-LJQANCHMSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006582
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(3S)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 95069972
1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 53071413
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071409
(3S)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95069950
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
(3S)-N-[(4-bromophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065835
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
(3R)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 95069941
(3R)-N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069851

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 95055768) is (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is VVLQLGYPQJFJAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-10-4-8-18(14-20)22-25-12-11-21(27-22)28-13-5-9-19(16-28)23(29)26-15-17-6-2-1-3-7-17/h1-4,6-8,10-12,14,19H,5,9,13,15-16H2,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95055768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).