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

C19H38N2O2 — CID 112544588

IUPACtert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)23-19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22)
InChIKeyDWOJESPRFSMATA-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.44
Rot. Bonds4

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

tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (PubChem CID 112544588) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
PubChem CID112544588
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)23-19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22)
InChIKeyDWOJESPRFSMATA-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542345
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[(3S,5R)-1-acetyl-5-ethylpyrrolidin-3-yl]carbamate
CID 143810553
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (CID 112544588) is tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is CCC(C)N1CC(CC(C)(C)C)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The InChIKey is DWOJESPRFSMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)23-19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22).
What are the key properties of tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).