ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate

C16H32N2O2 — CID 112543731

IUPACethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(CCCC)C1
InChIInChI=1S/C16H32N2O2/c1-4-7-9-14-11-15(17-16(19)20-6-3)13-18(12-14)10-8-5-2/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyGHWNNWWPKFGZCN-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds8

About ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate

ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate (PubChem CID 112543731) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
PubChem CID112543731
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(CCCC)C1
InChIInChI=1S/C16H32N2O2/c1-4-7-9-14-11-15(17-16(19)20-6-3)13-18(12-14)10-8-5-2/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyGHWNNWWPKFGZCN-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate (CID 112543731) is ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate is CCCCC1CC(NC(=O)OCC)CN(CCCC)C1.
What is the InChIKey of ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate?
The InChIKey is GHWNNWWPKFGZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-7-9-14-11-15(17-16(19)20-6-3)13-18(12-14)10-8-5-2/h14-15H,4-13H2,1-3H3,(H,17,19).
What are the key properties of ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate?
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).