(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H24N6O — CID 109298280

IUPAC(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(N2CCCCC2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N6O/c26-18(16-7-9-21-19(22-16)25-10-4-1-5-11-25)24-14-12-23(13-15-24)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2
InChIKeyABHQCJMITOQFQP-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.82
Rot. Bonds3

About (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109298280) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109298280
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(N2CCCCC2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N6O/c26-18(16-7-9-21-19(22-16)25-10-4-1-5-11-25)24-14-12-23(13-15-24)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2
InChIKeyABHQCJMITOQFQP-UHFFFAOYSA-N
XLogP1.82
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109298280) is (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccnc(N2CCCCC2)n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ABHQCJMITOQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-18(16-7-9-21-19(22-16)25-10-4-1-5-11-25)24-14-12-23(13-15-24)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109298280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).