ethyl 4-piperidin-1-ylazepane-1-carboxylate

C14H26N2O2 — CID 123362818

IUPACethyl 4-piperidin-1-ylazepane-1-carboxylate
SMILESCCOC(=O)N1CCCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)16-11-6-7-13(8-12-16)15-9-4-3-5-10-15/h13H,2-12H2,1H3
InChIKeySFKRNEQEBBYHBI-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.48
Rot. Bonds2

About ethyl 4-piperidin-1-ylazepane-1-carboxylate

ethyl 4-piperidin-1-ylazepane-1-carboxylate (PubChem CID 123362818) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ylazepane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ylazepane-1-carboxylate
PubChem CID123362818
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 4-piperidin-1-ylazepane-1-carboxylate
SMILESCCOC(=O)N1CCCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)16-11-6-7-13(8-12-16)15-9-4-3-5-10-15/h13H,2-12H2,1H3
InChIKeySFKRNEQEBBYHBI-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-piperidin-1-ylazepane-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

ethyl 4-[4-(1-ethylpyrrolidin-2-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123951118
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl (4S)-4-(4-butanimidoylpiperidin-1-yl)azepane-1-carboxylate
CID 167180594
ethyl 4-[4-[(E)-C-ethyl-N-methoxycarbonimidoyl]piperidin-1-yl]azepane-1-carboxylate
CID 129125813
ethyl 4-[4-(N-methyl-C-propylcarbonimidoyl)piperidin-1-yl]azepane-1-carboxylate
CID 146626108
ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl 4-[4-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]azepane-1-carboxylate
CID 71570295
tert-butyl 4-(4-ethoxycarbonylpiperidin-1-yl)azepane-1-carboxylate
CID 123273994
ethyl 4-[4-[C-(2-methylpropanimidoyloxy)carbonimidoyl]piperidin-1-yl]azepane-1-carboxylate
CID 144680391
ethyl 4-[4-(cyanomethanimidoyl)piperidin-1-yl]azepane-1-carboxylate
CID 145306147
ethyl 4-[4-[(E)-N-methoxy-C-propylcarbonimidoyl]piperidin-1-yl]azepane-1-carboxylate
CID 129125815

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ylazepane-1-carboxylate?
The IUPAC name of ethyl 4-piperidin-1-ylazepane-1-carboxylate (CID 123362818) is ethyl 4-piperidin-1-ylazepane-1-carboxylate.
What is the SMILES notation for ethyl 4-piperidin-1-ylazepane-1-carboxylate?
The canonical SMILES for ethyl 4-piperidin-1-ylazepane-1-carboxylate is CCOC(=O)N1CCCC(N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-piperidin-1-ylazepane-1-carboxylate?
The InChIKey is SFKRNEQEBBYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-14(17)16-11-6-7-13(8-12-16)15-9-4-3-5-10-15/h13H,2-12H2,1H3.
What are the key properties of ethyl 4-piperidin-1-ylazepane-1-carboxylate?
ethyl 4-piperidin-1-ylazepane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ylazepane-1-carboxylate is sourced from PubChem (CID 123362818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).