tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate

C20H35N3O4 — CID 119040484

IUPACtert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(=O)N1CCCC(C(=O)N2CCC(NC(=O)OC(C)(C)C)C(C)(C)C2)C1
InChIInChI=1S/C20H35N3O4/c1-14(24)22-10-7-8-15(12-22)17(25)23-11-9-16(20(5,6)13-23)21-18(26)27-19(2,3)4/h15-16H,7-13H2,1-6H3,(H,21,26)
InChIKeyMGBOOBVUIFJKCQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate

tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate (PubChem CID 119040484) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
PubChem CID119040484
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Nametert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(=O)N1CCCC(C(=O)N2CCC(NC(=O)OC(C)(C)C)C(C)(C)C2)C1
InChIInChI=1S/C20H35N3O4/c1-14(24)22-10-7-8-15(12-22)17(25)23-11-9-16(20(5,6)13-23)21-18(26)27-19(2,3)4/h15-16H,7-13H2,1-6H3,(H,21,26)
InChIKeyMGBOOBVUIFJKCQ-UHFFFAOYSA-N
XLogP2.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate (CID 119040484) is tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate is CC(=O)N1CCCC(C(=O)N2CCC(NC(=O)OC(C)(C)C)C(C)(C)C2)C1.
What is the InChIKey of tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The InChIKey is MGBOOBVUIFJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-14(24)22-10-7-8-15(12-22)17(25)23-11-9-16(20(5,6)13-23)21-18(26)27-19(2,3)4/h15-16H,7-13H2,1-6H3,(H,21,26).
What are the key properties of tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate has a molecular weight of 381.52 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-acetylpiperidine-3-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate is sourced from PubChem (CID 119040484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).