2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C21H23ClN4O2 — CID 121384962

IUPAC2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCN(Cc3ccccc3)CC2)nc2c(O)cc(Cl)cn12
InChIInChI=1S/C21H23ClN4O2/c22-16-10-19(27)21-24-18(11-20(28)26(21)14-16)12-23-17-6-8-25(9-7-17)13-15-4-2-1-3-5-15/h1-5,10-11,14,17,23,27H,6-9,12-13H2
InChIKeyNEPVGOBCEGHLHQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.81
Rot. Bonds5

About 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one

2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384962) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID121384962
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CCN(Cc3ccccc3)CC2)nc2c(O)cc(Cl)cn12
InChIInChI=1S/C21H23ClN4O2/c22-16-10-19(27)21-24-18(11-20(28)26(21)14-16)12-23-17-6-8-25(9-7-17)13-15-4-2-1-3-5-15/h1-5,10-11,14,17,23,27H,6-9,12-13H2
InChIKeyNEPVGOBCEGHLHQ-UHFFFAOYSA-N
XLogP2.81
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384957
2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
CID 71020441
(7-chloro-9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl methanedithioate
CID 167023198
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384954
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729
(7-chloro-9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl morpholine-4-carbodithioate
CID 167023191
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 121384962) is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CCN(Cc3ccccc3)CC2)nc2c(O)cc(Cl)cn12.
What is the InChIKey of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NEPVGOBCEGHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-16-10-19(27)21-24-18(11-20(28)26(21)14-16)12-23-17-6-8-25(9-7-17)13-15-4-2-1-3-5-15/h1-5,10-11,14,17,23,27H,6-9,12-13H2.
What are the key properties of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 398.89 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).