ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate

C15H25NO3 — CID 81344303

IUPACethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-3-19-13(17)12-7-6-10-16(11-12)14(18)15(2)8-4-5-9-15/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyRRZKBGFOZAYERV-LBPRGKRZSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds3

About ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate (PubChem CID 81344303) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
PubChem CID81344303
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-3-19-13(17)12-7-6-10-16(11-12)14(18)15(2)8-4-5-9-15/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyRRZKBGFOZAYERV-LBPRGKRZSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
CID 63132317
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
ethyl (3S)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate
CID 81344389

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate (CID 81344303) is ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1.
What is the InChIKey of ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate?
The InChIKey is RRZKBGFOZAYERV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-19-13(17)12-7-6-10-16(11-12)14(18)15(2)8-4-5-9-15/h12H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81344303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).