2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide

C31H31N5O3S — CID 70825209

IUPAC2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCCCC6)nc45)cccc3c2c1
InChIInChI=1S/C31H31N5O3S/c37-28(20-34-14-16-39-17-15-34)32-21-9-10-26-25(18-21)23-7-4-6-22(30(23)40-26)24-8-5-13-36-29(38)19-27(33-31(24)36)35-11-2-1-3-12-35/h4-10,13,18-19H,1-3,11-12,14-17,20H2,(H,32,37)
InChIKeyQRAXRTYZYIGFDR-UHFFFAOYSA-N
MW553.69 g/mol
LogP4.99
Rot. Bonds5

About 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide

2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide (PubChem CID 70825209) has the molecular formula C31H31N5O3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide
PubChem CID70825209
Molecular FormulaC31H31N5O3S
Molecular Weight553.69 g/mol
Exact Mass553.21
IUPAC Name2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCCCC6)nc45)cccc3c2c1
InChIInChI=1S/C31H31N5O3S/c37-28(20-34-14-16-39-17-15-34)32-21-9-10-26-25(18-21)23-7-4-6-22(30(23)40-26)24-8-5-13-36-29(38)19-27(33-31(24)36)35-11-2-1-3-12-35/h4-10,13,18-19H,1-3,11-12,14-17,20H2,(H,32,37)
InChIKeyQRAXRTYZYIGFDR-UHFFFAOYSA-N
XLogP4.99
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide
CID 68761954
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68758201
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68761995
N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 122179714
1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea
CID 122179723
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
2-piperidin-1-yl-N-[7-[(2-piperidin-1-ylacetyl)amino]-9H-fluoren-2-yl]acetamide
CID 14072226
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391
N-[6-[2-(dipropylamino)-4-oxochromen-8-yl]dibenzothiophen-2-yl]-1-(morpholin-4-ylmethyl)cyclopropane-1-carboxamide
CID 89004655

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide (CID 70825209) is 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide is O=C(CN1CCOCC1)Nc1ccc2sc3c(-c4cccn5c(=O)cc(N6CCCCC6)nc45)cccc3c2c1.
What is the InChIKey of 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide?
The InChIKey is QRAXRTYZYIGFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3S/c37-28(20-34-14-16-39-17-15-34)32-21-9-10-26-25(18-21)23-7-4-6-22(30(23)40-26)24-8-5-13-36-29(38)19-27(33-31(24)36)35-11-2-1-3-12-35/h4-10,13,18-19H,1-3,11-12,14-17,20H2,(H,32,37).
What are the key properties of 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide?
2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide has a molecular weight of 553.69 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[6-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]acetamide is sourced from PubChem (CID 70825209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).