tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate

C16H30N2O3 — CID 62330169

IUPACtert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H30N2O3/c1-12-8-10-18(13(2)11-12)14(19)7-6-9-17-15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyVLRDCGVLTZEUGS-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate

tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate (PubChem CID 62330169) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
PubChem CID62330169
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H30N2O3/c1-12-8-10-18(13(2)11-12)14(19)7-6-9-17-15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyVLRDCGVLTZEUGS-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
CID 79199279
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
cis-(1R,3S)-cyclopentane-1,3-diamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 143194126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate (CID 62330169) is tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate is CC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate?
The InChIKey is VLRDCGVLTZEUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-8-10-18(13(2)11-12)14(19)7-6-9-17-15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate is sourced from PubChem (CID 62330169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).