N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide

C18H24N4O5 — CID 163319371

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCn3ccccc3=O)C2)CCN1
InChIInChI=1S/C18H24N4O5/c23-14-10-12(18(27)22-8-5-19-16(25)11-22)9-13(14)20-15(24)4-7-21-6-2-1-3-17(21)26/h1-3,6,12-14,23H,4-5,7-11H2,(H,19,25)(H,20,24)/t12-,13+,14+/m0/s1
InChIKeyISBKYKLHHJTCLI-BFHYXJOUSA-N
MW376.41 g/mol
LogP-1.55
Rot. Bonds5

About N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 163319371) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID163319371
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCn3ccccc3=O)C2)CCN1
InChIInChI=1S/C18H24N4O5/c23-14-10-12(18(27)22-8-5-19-16(25)11-22)9-13(14)20-15(24)4-7-21-6-2-1-3-17(21)26/h1-3,6,12-14,23H,4-5,7-11H2,(H,19,25)(H,20,24)/t12-,13+,14+/m0/s1
InChIKeyISBKYKLHHJTCLI-BFHYXJOUSA-N
XLogP-1.55
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide with MolForge

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Related Compounds

4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
N-[(1R,2R,4S)-2-hydroxy-4-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentyl]-1H-indole-2-carboxamide
CID 155912791
N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 155912269
6-amino-N-[(1R,2R,5S)-2-hydroxy-5-(3-oxopiperazine-1-carbonyl)cyclohexyl]pyridine-2-carboxamide
CID 162629069
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 155919259
3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549664
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
CID 94915607

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 163319371) is N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide is O=C1CN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)CCn3ccccc3=O)C2)CCN1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is ISBKYKLHHJTCLI-BFHYXJOUSA-N. The full InChI is InChI=1S/C18H24N4O5/c23-14-10-12(18(27)22-8-5-19-16(25)11-22)9-13(14)20-15(24)4-7-21-6-2-1-3-17(21)26/h1-3,6,12-14,23H,4-5,7-11H2,(H,19,25)(H,20,24)/t12-,13+,14+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 376.41 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 163319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).