ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate

C14H28N2O2 — CID 112543729

IUPACethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
SMILESCCCCN1CC(CC)CC(NC(=O)OCC)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-8-16-10-12(5-2)9-13(11-16)15-14(17)18-6-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyISPLYSNUTDOTMH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds6

About ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate

ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate (PubChem CID 112543729) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
PubChem CID112543729
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
SMILESCCCCN1CC(CC)CC(NC(=O)OCC)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-8-16-10-12(5-2)9-13(11-16)15-14(17)18-6-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyISPLYSNUTDOTMH-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate 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 N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate (CID 112543729) is ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate is CCCCN1CC(CC)CC(NC(=O)OCC)C1.
What is the InChIKey of ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate?
The InChIKey is ISPLYSNUTDOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-7-8-16-10-12(5-2)9-13(11-16)15-14(17)18-6-3/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate?
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).