tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate

C16H29N3O3 — CID 53256232

IUPACtert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-14(20)17-13-7-11-19(12-8-13)15(21)18-9-5-4-6-10-18/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyQHTZMHUKWCUEJU-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.58
Rot. Bonds1

About tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate (PubChem CID 53256232) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate
PubChem CID53256232
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-14(20)17-13-7-11-19(12-8-13)15(21)18-9-5-4-6-10-18/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyQHTZMHUKWCUEJU-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate (CID 53256232) is tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is QHTZMHUKWCUEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-14(20)17-13-7-11-19(12-8-13)15(21)18-9-5-4-6-10-18/h13H,4-12H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(piperidine-1-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 53256232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).