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

C16H29N3O3 — CID 50986483

IUPACtert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)18-13-6-10-19(11-7-13)14(20)12-4-8-17-9-5-12/h12-13,17H,4-11H2,1-3H3,(H,18,21)
InChIKeyAVIZMDYPFAPLEH-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.50
Rot. Bonds2

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

tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate (PubChem CID 50986483) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate
PubChem CID50986483
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)18-13-6-10-19(11-7-13)14(20)12-4-8-17-9-5-12/h12-13,17H,4-11H2,1-3H3,(H,18,21)
InChIKeyAVIZMDYPFAPLEH-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate (CID 50986483) is tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is AVIZMDYPFAPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)18-13-6-10-19(11-7-13)14(20)12-4-8-17-9-5-12/h12-13,17H,4-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 50986483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).