piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone

C19H24N6O — CID 109298462

IUPACpiperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(N2CCN(c3ccccn3)CC2)n1)N1CCCCC1
InChIInChI=1S/C19H24N6O/c26-18(24-10-4-1-5-11-24)16-7-9-21-19(22-16)25-14-12-23(13-15-25)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2
InChIKeyQRPJICNJOZCLAD-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.82
Rot. Bonds3

About piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone

piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109298462) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109298462
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Namepiperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(N2CCN(c3ccccn3)CC2)n1)N1CCCCC1
InChIInChI=1S/C19H24N6O/c26-18(24-10-4-1-5-11-24)16-7-9-21-19(22-16)25-14-12-23(13-15-25)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2
InChIKeyQRPJICNJOZCLAD-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

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Related Compounds

(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
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-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone (CID 109298462) is piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone is O=C(c1ccnc(N2CCN(c3ccccn3)CC2)n1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is QRPJICNJOZCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-18(24-10-4-1-5-11-24)16-7-9-21-19(22-16)25-14-12-23(13-15-25)17-6-2-3-8-20-17/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone?
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-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 piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109298462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).