ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate

C17H34N2O2 — CID 112543950

IUPACethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC(C)(C)C)CN(C(C)CC)C1
InChIInChI=1S/C17H34N2O2/c1-7-13(3)19-11-14(10-17(4,5)6)9-15(12-19)18-16(20)21-8-2/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyFOYIECGKRIZGFZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds5

About ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate

ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (PubChem CID 112543950) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
PubChem CID112543950
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC(C)(C)C)CN(C(C)CC)C1
InChIInChI=1S/C17H34N2O2/c1-7-13(3)19-11-14(10-17(4,5)6)9-15(12-19)18-16(20)21-8-2/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyFOYIECGKRIZGFZ-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588
N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542345
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544082
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (CID 112543950) is ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(CC(C)(C)C)CN(C(C)CC)C1.
What is the InChIKey of ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The InChIKey is FOYIECGKRIZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-13(3)19-11-14(10-17(4,5)6)9-15(12-19)18-16(20)21-8-2/h13-15H,7-12H2,1-6H3,(H,18,20).
What are the key properties of ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).