ethyl (3S)-1-nonanoylpiperidine-3-carboxylate

C17H31NO3 — CID 81338255

IUPACethyl (3S)-1-nonanoylpiperidine-3-carboxylate
SMILESCCCCCCCCC(=O)N1CCC[C@H](C(=O)OCC)C1
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-12-16(19)18-13-10-11-15(14-18)17(20)21-4-2/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyASGDCVWIXKFMMM-HNNXBMFYSA-N
MW297.44 g/mol
LogP3.54
Rot. Bonds9

About ethyl (3S)-1-nonanoylpiperidine-3-carboxylate

ethyl (3S)-1-nonanoylpiperidine-3-carboxylate (PubChem CID 81338255) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl (3S)-1-nonanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-nonanoylpiperidine-3-carboxylate
PubChem CID81338255
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl (3S)-1-nonanoylpiperidine-3-carboxylate
SMILESCCCCCCCCC(=O)N1CCC[C@H](C(=O)OCC)C1
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-12-16(19)18-13-10-11-15(14-18)17(20)21-4-2/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyASGDCVWIXKFMMM-HNNXBMFYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
1-decanoylpiperidine-3-carboperoxoic acid
CID 19094881
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-nonanoylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-nonanoylpiperidine-3-carboxylate (CID 81338255) is ethyl (3S)-1-nonanoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-nonanoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-nonanoylpiperidine-3-carboxylate is CCCCCCCCC(=O)N1CCC[C@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3S)-1-nonanoylpiperidine-3-carboxylate?
The InChIKey is ASGDCVWIXKFMMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-5-6-7-8-9-12-16(19)18-13-10-11-15(14-18)17(20)21-4-2/h15H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-1-nonanoylpiperidine-3-carboxylate?
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-nonanoylpiperidine-3-carboxylate is sourced from PubChem (CID 81338255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).