(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone

C26H36N6O — CID 92624770

IUPAC(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone
SMILESCNc1nc(C2CCNCC2)nc2c1CN(C(=O)[C@@H](c1ccccc1)N1CCCCC1)CC2
InChIInChI=1S/C26H36N6O/c1-27-25-21-18-32(17-12-22(21)29-24(30-25)20-10-13-28-14-11-20)26(33)23(19-8-4-2-5-9-19)31-15-6-3-7-16-31/h2,4-5,8-9,20,23,28H,3,6-7,10-18H2,1H3,(H,27,29,30)/t23-/m1/s1
InChIKeyXQMRTFKFMHZGGK-HSZRJFAPSA-N
MW448.62 g/mol
LogP3.10
Rot. Bonds5

About (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone

(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone (PubChem CID 92624770) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone
PubChem CID92624770
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone
SMILESCNc1nc(C2CCNCC2)nc2c1CN(C(=O)[C@@H](c1ccccc1)N1CCCCC1)CC2
InChIInChI=1S/C26H36N6O/c1-27-25-21-18-32(17-12-22(21)29-24(30-25)20-10-13-28-14-11-20)26(33)23(19-8-4-2-5-9-19)31-15-6-3-7-16-31/h2,4-5,8-9,20,23,28H,3,6-7,10-18H2,1H3,(H,27,29,30)/t23-/m1/s1
InChIKeyXQMRTFKFMHZGGK-HSZRJFAPSA-N
XLogP3.10
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
CID 92636376
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
1-[(3R)-3-[4-(methylamino)-6-[(2-piperidin-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125007493
1-[4-[4-(methylamino)-6-(oxolane-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110262134
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 97185452
1-[4-(methylamino)-2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625258
N-methyl-7-piperidin-1-ylsulfonyl-2-[(3S)-pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 124976094
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
CID 92625542
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623088

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone?
The IUPAC name of (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone (CID 92624770) is (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone.
What is the SMILES notation for (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone?
The canonical SMILES for (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone is CNc1nc(C2CCNCC2)nc2c1CN(C(=O)[C@@H](c1ccccc1)N1CCCCC1)CC2.
What is the InChIKey of (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone?
The InChIKey is XQMRTFKFMHZGGK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36N6O/c1-27-25-21-18-32(17-12-22(21)29-24(30-25)20-10-13-28-14-11-20)26(33)23(19-8-4-2-5-9-19)31-15-6-3-7-16-31/h2,4-5,8-9,20,23,28H,3,6-7,10-18H2,1H3,(H,27,29,30)/t23-/m1/s1.
What are the key properties of (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone?
(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone has a molecular weight of 448.62 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone is sourced from PubChem (CID 92624770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).