ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate

C16H25NO3 — CID 81344758

IUPACethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C16H25NO3/c1-2-20-16(19)13-4-3-7-17(10-13)15(18)14-9-11-5-6-12(14)8-11/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m0/s1
InChIKeyNIVCOPYTSZDYQN-RFPFOJJUSA-N
MW279.38 g/mol
LogP2.22
Rot. Bonds3

About ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate (PubChem CID 81344758) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
PubChem CID81344758
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C16H25NO3/c1-2-20-16(19)13-4-3-7-17(10-13)15(18)14-9-11-5-6-12(14)8-11/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m0/s1
InChIKeyNIVCOPYTSZDYQN-RFPFOJJUSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 79383234
ethyl (3S)-1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-3-carboxylate
CID 81338593
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate (CID 81344758) is ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)C2CC3CCC2C3)C1.
What is the InChIKey of ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is NIVCOPYTSZDYQN-RFPFOJJUSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-20-16(19)13-4-3-7-17(10-13)15(18)14-9-11-5-6-12(14)8-11/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m0/s1.
What are the key properties of ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81344758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).