(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone

C16H17N3O — CID 2229074

IUPAC(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCCCC1
InChIInChI=1S/C16H17N3O/c20-16(19-9-5-2-6-10-19)14-11-17-15(18-12-14)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyUGILMKRIQFOBER-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.77
Rot. Bonds2

About (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone

(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 2229074) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID2229074
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)nc1)N1CCCCC1
InChIInChI=1S/C16H17N3O/c20-16(19-9-5-2-6-10-19)14-11-17-15(18-12-14)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyUGILMKRIQFOBER-UHFFFAOYSA-N
XLogP2.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 97083074
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
azepan-1-yl-[2-(N-benzylanilino)pyrimidin-5-yl]methanone
CID 109264918
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone (CID 2229074) is (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone is O=C(c1cnc(-c2ccccc2)nc1)N1CCCCC1.
What is the InChIKey of (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is UGILMKRIQFOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-9-5-2-6-10-19)14-11-17-15(18-12-14)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone?
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2229074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).