ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate

C15H24N2O4 — CID 110285927

IUPACethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H24N2O4/c1-3-21-15(20)14(19)17-8-4-5-12(17)13(18)16-9-6-11(2)7-10-16/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyMDCMWOOGEHHVBK-LBPRGKRZSA-N
MW296.37 g/mol
LogP0.80
Rot. Bonds2

About ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate

ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate (PubChem CID 110285927) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate
PubChem CID110285927
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H24N2O4/c1-3-21-15(20)14(19)17-8-4-5-12(17)13(18)16-9-6-11(2)7-10-16/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyMDCMWOOGEHHVBK-LBPRGKRZSA-N
XLogP0.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
ethyl 2-(2-methylpyrrolidin-1-yl)-2-oxoacetate
CID 60973596
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 110285901
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
1-(2-fluorophenyl)-4-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110625753
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
(E)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305827

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate (CID 110285927) is ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate is CCOC(=O)C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate?
The InChIKey is MDCMWOOGEHHVBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-21-15(20)14(19)17-8-4-5-12(17)13(18)16-9-6-11(2)7-10-16/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate?
ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate has a molecular weight of 296.37 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 110285927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).