[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone

C19H29N5O — CID 95138634

IUPAC[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCN1CCc2ncnc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c2C1
InChIInChI=1S/C19H29N5O/c1-22-11-7-17-16(13-22)18(21-14-20-17)24-10-5-6-15(12-24)19(25)23-8-3-2-4-9-23/h14-15H,2-13H2,1H3/t15-/m0/s1
InChIKeyYVSYNCXCOASWRO-HNNXBMFYSA-N
MW343.48 g/mol
LogP1.69
Rot. Bonds2

About [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone

[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 95138634) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID95138634
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCN1CCc2ncnc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c2C1
InChIInChI=1S/C19H29N5O/c1-22-11-7-17-16(13-22)18(21-14-20-17)24-10-5-6-15(12-24)19(25)23-8-3-2-4-9-23/h14-15H,2-13H2,1H3/t15-/m0/s1
InChIKeyYVSYNCXCOASWRO-HNNXBMFYSA-N
XLogP1.69
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
(4-propylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-3-yl]methanone
CID 20912386
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418475
1-[4-[4-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 20912413
2-methylsulfanyl-4-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 166602573
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 97018091
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
[4-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049091
2-methyl-5-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 146077498

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 95138634) is [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone is CN1CCc2ncnc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c2C1.
What is the InChIKey of [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is YVSYNCXCOASWRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22-11-7-17-16(13-22)18(21-14-20-17)24-10-5-6-15(12-24)19(25)23-8-3-2-4-9-23/h14-15H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 343.48 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95138634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).