[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone

C20H25N5O — CID 109249944

IUPAC[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ccccc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H25N5O/c26-19(24-9-5-2-6-10-24)17-15-21-20(22-16-17)25-13-11-23(12-14-25)18-7-3-1-4-8-18/h1,3-4,7-8,15-16H,2,5-6,9-14H2
InChIKeyQXQUKEMEZWNSGG-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.43
Rot. Bonds3

About [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249944) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249944
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ccccc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H25N5O/c26-19(24-9-5-2-6-10-24)17-15-21-20(22-16-17)25-13-11-23(12-14-25)18-7-3-1-4-8-18/h1,3-4,7-8,15-16H,2,5-6,9-14H2
InChIKeyQXQUKEMEZWNSGG-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
(5-hydroxy-6-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 158958236
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249944) is [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone is O=C(c1cnc(N2CCN(c3ccccc3)CC2)nc1)N1CCCCC1.
What is the InChIKey of [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is QXQUKEMEZWNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(24-9-5-2-6-10-24)17-15-21-20(22-16-17)25-13-11-23(12-14-25)18-7-3-1-4-8-18/h1,3-4,7-8,15-16H,2,5-6,9-14H2.
What are the key properties of [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).