3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H22ClN5O — CID 120981584

IUPAC3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCc2cncnc2C1)N1CCNCC1
InChIInChI=1S/C14H21N5O.ClH/c20-14(19-7-3-15-4-8-19)2-6-18-5-1-12-9-16-11-17-13(12)10-18;/h9,11,15H,1-8,10H2;1H
InChIKeyFFTWTRNDVJYHQC-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.08
Rot. Bonds3

About 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981584) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981584
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCc2cncnc2C1)N1CCNCC1
InChIInChI=1S/C14H21N5O.ClH/c20-14(19-7-3-15-4-8-19)2-6-18-5-1-12-9-16-11-17-13(12)10-18;/h9,11,15H,1-8,10H2;1H
InChIKeyFFTWTRNDVJYHQC-UHFFFAOYSA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride with MolForge

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Related Compounds

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
3-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982121
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 95291946
6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183281
1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
CID 64693847
1-(4-cyclobutylpiperazin-1-yl)-2-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 57420613
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017206
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95751074
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981584) is 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCc2cncnc2C1)N1CCNCC1.
What is the InChIKey of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is FFTWTRNDVJYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c20-14(19-7-3-15-4-8-19)2-6-18-5-1-12-9-16-11-17-13(12)10-18;/h9,11,15H,1-8,10H2;1H.
What are the key properties of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).