ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate

C17H32N2O2 — CID 112544038

IUPACethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(C2CCC2C)C1
InChIInChI=1S/C17H32N2O2/c1-4-6-7-14-10-15(18-17(20)21-5-2)12-19(11-14)16-9-8-13(16)3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyCKFXWNRVIOCZQF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.41
Rot. Bonds6

About ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate

ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate (PubChem CID 112544038) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
PubChem CID112544038
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(C2CCC2C)C1
InChIInChI=1S/C17H32N2O2/c1-4-6-7-14-10-15(18-17(20)21-5-2)12-19(11-14)16-9-8-13(16)3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyCKFXWNRVIOCZQF-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
N-[1-(2-methylcyclobutyl)-5-propylpiperidin-3-yl]acetamide
CID 112541963
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
CID 112543963
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
N-[5-ethyl-1-(2-methylcyclobutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542854
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544027
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate (CID 112544038) is ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate is CCCCC1CC(NC(=O)OCC)CN(C2CCC2C)C1.
What is the InChIKey of ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The InChIKey is CKFXWNRVIOCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-7-14-10-15(18-17(20)21-5-2)12-19(11-14)16-9-8-13(16)3/h13-16H,4-12H2,1-3H3,(H,18,20).
What are the key properties of ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).