[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C23H24N4O — CID 56917083

IUPAC[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(20-8-9-22(26-16-20)21-14-24-17-25-15-21)27-12-10-19(11-13-27)7-6-18-4-2-1-3-5-18/h1-5,8-9,14-17,19H,6-7,10-13H2
InChIKeyREDFDVAEOIZTKW-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.02
Rot. Bonds5

About [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 56917083) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID56917083
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(20-8-9-22(26-16-20)21-14-24-17-25-15-21)27-12-10-19(11-13-27)7-6-18-4-2-1-3-5-18/h1-5,8-9,14-17,19H,6-7,10-13H2
InChIKeyREDFDVAEOIZTKW-UHFFFAOYSA-N
XLogP4.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 56917055
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
N,N-dimethyl-2-[[5-[4-(2-phenylethyl)piperidine-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 56749811
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151938

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 56917083) is [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2cncnc2)nc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is REDFDVAEOIZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(20-8-9-22(26-16-20)21-14-24-17-25-15-21)27-12-10-19(11-13-27)7-6-18-4-2-1-3-5-18/h1-5,8-9,14-17,19H,6-7,10-13H2.
What are the key properties of [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 56917083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).