2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C14H18Cl2N4O — CID 119907105

IUPAC2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H17ClN4O.ClH/c15-10-1-2-13-17-12(7-14(20)19(13)8-10)9-18-5-3-11(16)4-6-18;/h1-2,7-8,11H,3-6,9,16H2;1H
InChIKeyKSPCOXSCLGTIHQ-UHFFFAOYSA-N
MW329.23 g/mol
LogP1.69
Rot. Bonds2

About 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119907105) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119907105
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H17ClN4O.ClH/c15-10-1-2-13-17-12(7-14(20)19(13)8-10)9-18-5-3-11(16)4-6-18;/h1-2,7-8,11H,3-6,9,16H2;1H
InChIKeyKSPCOXSCLGTIHQ-UHFFFAOYSA-N
XLogP1.69
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
2-[[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920609
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 128712245
2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119915940
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
tert-butyl N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512447
7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118766913

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119907105) is 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.NC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is KSPCOXSCLGTIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c15-10-1-2-13-17-12(7-14(20)19(13)8-10)9-18-5-3-11(16)4-6-18;/h1-2,7-8,11H,3-6,9,16H2;1H.
What are the key properties of 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119907105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).