ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate

C14H24N2O4 — CID 95788654

IUPACethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](OC)C2)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-14(18)16-7-4-5-11(9-16)13(17)15-8-6-12(10-15)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyPPEIIRKJHBHULG-NWDGAFQWSA-N
MW284.36 g/mol
LogP1.10
Rot. Bonds3

About ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate

ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 95788654) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID95788654
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](OC)C2)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-14(18)16-7-4-5-11(9-16)13(17)15-8-6-12(10-15)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyPPEIIRKJHBHULG-NWDGAFQWSA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354
ethyl 4-[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 110344239
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate (CID 95788654) is ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](OC)C2)C1.
What is the InChIKey of ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is PPEIIRKJHBHULG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-20-14(18)16-7-4-5-11(9-16)13(17)15-8-6-12(10-15)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate?
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 95788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).