7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C17H23N5O2 — CID 124947088

IUPAC7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESNC1(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)CCCC1
InChIInChI=1S/C17H23N5O2/c18-17(6-2-3-7-17)15(24)21-9-4-1-5-13(21)12-11-14(23)22-10-8-19-16(22)20-12/h8,10-11,13H,1-7,9,18H2,(H,19,20)/t13-/m0/s1
InChIKeySUNMSFHVEAKBMN-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds2

About 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124947088) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124947088
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESNC1(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)CCCC1
InChIInChI=1S/C17H23N5O2/c18-17(6-2-3-7-17)15(24)21-9-4-1-5-13(21)12-11-14(23)22-10-8-19-16(22)20-12/h8,10-11,13H,1-7,9,18H2,(H,19,20)/t13-/m0/s1
InChIKeySUNMSFHVEAKBMN-ZDUSSCGKSA-N
XLogP1.35
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124952271
7-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125026892
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459
7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118136
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304
7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124956145
7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124947088) is 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is NC1(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)CCCC1.
What is the InChIKey of 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is SUNMSFHVEAKBMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-17(6-2-3-7-17)15(24)21-9-4-1-5-13(21)12-11-14(23)22-10-8-19-16(22)20-12/h8,10-11,13H,1-7,9,18H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124947088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).