tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate

C16H28N2O5 — CID 58959909

IUPACtert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C16H28N2O5/c1-15(2,3)23-14(20)17-11-6-8-18(9-7-11)13(19)12-10-21-16(4,5)22-12/h11-12H,6-10H2,1-5H3,(H,17,20)/t12-/m0/s1
InChIKeyRITBDJUXQISQPU-LBPRGKRZSA-N
MW328.41 g/mol
LogP1.65
Rot. Bonds2

About tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate (PubChem CID 58959909) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
PubChem CID58959909
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nametert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C16H28N2O5/c1-15(2,3)23-14(20)17-11-6-8-18(9-7-11)13(19)12-10-21-16(4,5)22-12/h11-12H,6-10H2,1-5H3,(H,17,20)/t12-/m0/s1
InChIKeyRITBDJUXQISQPU-LBPRGKRZSA-N
XLogP1.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
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tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 156723037
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate (CID 58959909) is tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2COC(C)(C)O2)CC1.
What is the InChIKey of tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate?
The InChIKey is RITBDJUXQISQPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-15(2,3)23-14(20)17-11-6-8-18(9-7-11)13(19)12-10-21-16(4,5)22-12/h11-12H,6-10H2,1-5H3,(H,17,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 58959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).