(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone

C23H24N4O — CID 72902882

IUPAC(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-22(20-16-24-23(25-17-20)26-21-9-5-2-6-10-21)27-13-11-19(12-14-27)15-18-7-3-1-4-8-18/h1-10,16-17,19H,11-15H2,(H,24,25,26)
InChIKeyXBGJJUUCHXNMPQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.32
Rot. Bonds5

About (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone

(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone (PubChem CID 72902882) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
PubChem CID72902882
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-22(20-16-24-23(25-17-20)26-21-9-5-2-6-10-21)27-13-11-19(12-14-27)15-18-7-3-1-4-8-18/h1-10,16-17,19H,11-15H2,(H,24,25,26)
InChIKeyXBGJJUUCHXNMPQ-UHFFFAOYSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(2-anilinopyrimidin-5-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 155505971
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109161608
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone (CID 72902882) is (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is XBGJJUUCHXNMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-22(20-16-24-23(25-17-20)26-21-9-5-2-6-10-21)27-13-11-19(12-14-27)15-18-7-3-1-4-8-18/h1-10,16-17,19H,11-15H2,(H,24,25,26).
What are the key properties of (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone?
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 72902882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).