[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate

C12H22N2O3 — CID 175269428

IUPAC[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(=O)N1CCC[C@H](CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-6-4-5-10(8-14)7-12(2,3)17-11(13)16/h10H,4-8H2,1-3H3,(H2,13,16)/t10-/m1/s1
InChIKeyGRGZEMDNBDZRDT-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.51
Rot. Bonds3

About [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate

[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 175269428) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
PubChem CID175269428
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(=O)N1CCC[C@H](CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-6-4-5-10(8-14)7-12(2,3)17-11(13)16/h10H,4-8H2,1-3H3,(H2,13,16)/t10-/m1/s1
InChIKeyGRGZEMDNBDZRDT-SNVBAGLBSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 175818033
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
CID 174615976
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 91567205
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 123609179
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
CID 165459517
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate (CID 175269428) is [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate is CC(=O)N1CCC[C@H](CC(C)(C)OC(N)=O)C1.
What is the InChIKey of [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is GRGZEMDNBDZRDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)14-6-4-5-10(8-14)7-12(2,3)17-11(13)16/h10H,4-8H2,1-3H3,(H2,13,16)/t10-/m1/s1.
What are the key properties of [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate?
[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 175269428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).