(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide

C43H87N7O — CID 162264075

IUPAC(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN2CCC[C@@H]2C1.CC(C)(C)N1CCN2CCC[C@H]2C1.CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.2C11H22N2.C10H21N/c1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9-5-7-11(8-6-9)10(2,3)4/h10H,5-8H2,1-4H3,(H,12,14);2*10H,4-9H2,1-3H3;9H,5-8H2,1-4H3/t;2*10-;/m.10./s1
InChIKeyZZQQMYMDPVCWMS-JFBGQULXSA-N
MW718.22 g/mol
LogP7.03
Rot. Bonds1

About (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide

(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide (PubChem CID 162264075) has the molecular formula C43H87N7O and a molecular weight of 718.22 g/mol. Its IUPAC name is (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide
PubChem CID162264075
Molecular FormulaC43H87N7O
Molecular Weight718.22 g/mol
Exact Mass717.70
IUPAC Name(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN2CCC[C@@H]2C1.CC(C)(C)N1CCN2CCC[C@H]2C1.CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.2C11H22N2.C10H21N/c1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9-5-7-11(8-6-9)10(2,3)4/h10H,5-8H2,1-4H3,(H,12,14);2*10H,4-9H2,1-3H3;9H,5-8H2,1-4H3/t;2*10-;/m.10./s1
InChIKeyZZQQMYMDPVCWMS-JFBGQULXSA-N
XLogP7.03
TPSA48.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.22
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine
CID 157345701
N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 158140262

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide?
The IUPAC name of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide (CID 162264075) is (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide.
What is the SMILES notation for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide?
The canonical SMILES for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide is CC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN2CCC[C@@H]2C1.CC(C)(C)N1CCN2CCC[C@H]2C1.CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide?
The InChIKey is ZZQQMYMDPVCWMS-JFBGQULXSA-N. The full InChI is InChI=1S/C11H22N2O.2C11H22N2.C10H21N/c1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9-5-7-11(8-6-9)10(2,3)4/h10H,5-8H2,1-4H3,(H,12,14);2*10H,4-9H2,1-3H3;9H,5-8H2,1-4H3/t;2*10-;/m.10./s1.
What are the key properties of (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide?
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide has a molecular weight of 718.22 g/mol, XLogP of 7.03, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide is sourced from PubChem (CID 162264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).