tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate

C25H48N4O5 — CID 159786200

IUPACtert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1
InChIInChI=1S/C15H28N2O3.C10H20N2O2/c1-15(2,3)20-14(18)16-12-4-8-17(9-5-12)13-6-10-19-11-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h12-13H,4-11H2,1-3H3,(H,16,18);8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyNHZBGEOOCYZPRJ-UHFFFAOYSA-N
MW484.68 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate

tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate (PubChem CID 159786200) has the molecular formula C25H48N4O5 and a molecular weight of 484.68 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
PubChem CID159786200
Molecular FormulaC25H48N4O5
Molecular Weight484.68 g/mol
Exact Mass484.36
IUPAC Nametert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1
InChIInChI=1S/C15H28N2O3.C10H20N2O2/c1-15(2,3)20-14(18)16-12-4-8-17(9-5-12)13-6-10-19-11-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h12-13H,4-11H2,1-3H3,(H,16,18);8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyNHZBGEOOCYZPRJ-UHFFFAOYSA-N
XLogP3.42
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-methyl-N-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]carbamate
CID 72021006
Tert-butyl 4-[(3-fluorooxan-4-yl)amino]piperidine-1-carboxylate
CID 58035081
tert-butyl N-[1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
CID 67126535
tert-butyl N-[1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-yl]carbamate
CID 67126536
tert-butyl N-(3-fluorooxan-4-yl)-N-piperidin-4-ylcarbamate
CID 67193019
tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
CID 67193021
tert-butyl 4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68209903
tert-butyl 4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68209919
tert-butyl 4-[[(4S)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 68211649
tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
CID 138612843
tert-butyl N-[1-[(3S,4S)-3-fluorooxan-4-yl]piperidin-4-yl]carbamate
CID 141281842
tert-Butyl [3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
CID 154466864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate (CID 159786200) is tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)NC1CCN(C2CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.
What is the InChIKey of tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate?
The InChIKey is NHZBGEOOCYZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.C10H20N2O2/c1-15(2,3)20-14(18)16-12-4-8-17(9-5-12)13-6-10-19-11-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h12-13H,4-11H2,1-3H3,(H,16,18);8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate?
tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate has a molecular weight of 484.68 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 159786200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).