ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate

C17H32N2O2 — CID 81390651

IUPACethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-21-17(20)19-12-10-16(11-13-19)18-14(2)15-8-6-4-5-7-9-15/h14-16,18H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyVXSDZZGYNPZODV-AWEZNQCLSA-N
MW296.45 g/mol
LogP3.56
Rot. Bonds4

About ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate

ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate (PubChem CID 81390651) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
PubChem CID81390651
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-21-17(20)19-12-10-16(11-13-19)18-14(2)15-8-6-4-5-7-9-15/h14-16,18H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyVXSDZZGYNPZODV-AWEZNQCLSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxamide
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tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
ethyl 4-[1-(but-2-ynoylamino)ethyl]piperidine-1-carboxylate
CID 146083732
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate (CID 81390651) is ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@@H](C)C2CCCCCC2)CC1.
What is the InChIKey of ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate?
The InChIKey is VXSDZZGYNPZODV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-21-17(20)19-12-10-16(11-13-19)18-14(2)15-8-6-4-5-7-9-15/h14-16,18H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 81390651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).