methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate

C14H26N2O2 — CID 112543336

IUPACmethyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OC)CN(C2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-4-5-11-8-12(15-14(17)18-2)10-16(9-11)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyHOXLTEZOIONONE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds5

About methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate

methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate (PubChem CID 112543336) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
PubChem CID112543336
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OC)CN(C2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-4-5-11-8-12(15-14(17)18-2)10-16(9-11)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyHOXLTEZOIONONE-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
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
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373
methyl N-[1-cyclopentyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543328
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
CID 112543963
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate (CID 112543336) is methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate is CCCCC1CC(NC(=O)OC)CN(C2CC2)C1.
What is the InChIKey of methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate?
The InChIKey is HOXLTEZOIONONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-4-5-11-8-12(15-14(17)18-2)10-16(9-11)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate?
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).