1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C20H29N5O3 — CID 110245917

IUPAC1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)CC1=O
InChIInChI=1S/C20H29N5O3/c1-28-9-8-25-13-15(10-18(25)26)20(27)24-6-3-14(4-7-24)19-22-12-16-11-21-5-2-17(16)23-19/h12,14-15,21H,2-11,13H2,1H3
InChIKeyDTGSBNKHHUZCCC-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.32
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110245917) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110245917
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)CC1=O
InChIInChI=1S/C20H29N5O3/c1-28-9-8-25-13-15(10-18(25)26)20(27)24-6-3-14(4-7-24)19-22-12-16-11-21-5-2-17(16)23-19/h12,14-15,21H,2-11,13H2,1H3
InChIKeyDTGSBNKHHUZCCC-UHFFFAOYSA-N
XLogP0.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 56747777
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952
2-(4-methylphenyl)-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110241505
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594720
(4S)-1-methyl-4-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607780
(4S)-1-methyl-4-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607782
1-(3-methoxypropyl)-4-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-2-one
CID 110262571
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586468

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 110245917) is 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is COCCN1CC(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DTGSBNKHHUZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-28-9-8-25-13-15(10-18(25)26)20(27)24-6-3-14(4-7-24)19-22-12-16-11-21-5-2-17(16)23-19/h12,14-15,21H,2-11,13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110245917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).