3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one

C15H19N3O2 — CID 96515108

IUPAC3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C15H19N3O2/c1-15(2)14(20)17-6-7-18(15)13(19)12-8-11(12)10-4-3-5-16-9-10/h3-5,9,11-12H,6-8H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyDAPZWINXKDFRKS-VXGBXAGGSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds2

About 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one

3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one (PubChem CID 96515108) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
PubChem CID96515108
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C15H19N3O2/c1-15(2)14(20)17-6-7-18(15)13(19)12-8-11(12)10-4-3-5-16-9-10/h3-5,9,11-12H,6-8H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyDAPZWINXKDFRKS-VXGBXAGGSA-N
XLogP0.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one with MolForge

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Related Compounds

4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one
CID 119032644
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114424023
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 136582567
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124835278
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124824565

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one (CID 96515108) is 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one?
The InChIKey is DAPZWINXKDFRKS-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)14(20)17-6-7-18(15)13(19)12-8-11(12)10-4-3-5-16-9-10/h3-5,9,11-12H,6-8H2,1-2H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one?
3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 96515108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).