methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate

C13H26N2O2 — CID 112543072

IUPACmethyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-11-6-12(14-13(16)17-4)9-15(8-11)7-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyAXLJJWIBFZEBOQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.10
Rot. Bonds4

About methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate

methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate (PubChem CID 112543072) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
PubChem CID112543072
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-11-6-12(14-13(16)17-4)9-15(8-11)7-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyAXLJJWIBFZEBOQ-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate (CID 112543072) is methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate is CCC1CC(NC(=O)OC)CN(CC(C)C)C1.
What is the InChIKey of methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The InChIKey is AXLJJWIBFZEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-11-6-12(14-13(16)17-4)9-15(8-11)7-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).