tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

C17H31N3O2 — CID 176897655

IUPACtert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C2CN(CCC3CCNCC3)CC21
InChIInChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)19-15-13-10-20(11-14(13)15)9-6-12-4-7-18-8-5-12/h12-15,18H,4-11H2,1-3H3,(H,19,21)
InChIKeyAUICEMSJBYQIPG-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.83
Rot. Bonds4

About tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 176897655) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
PubChem CID176897655
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C2CN(CCC3CCNCC3)CC21
InChIInChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)19-15-13-10-20(11-14(13)15)9-6-12-4-7-18-8-5-12/h12-15,18H,4-11H2,1-3H3,(H,19,21)
InChIKeyAUICEMSJBYQIPG-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate 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

tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
CID 156824590
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate
CID 22975802
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-[(1S,2S,4S,7S)-2-(hydroxymethyl)-7-bicyclo[2.2.1]heptanyl]carbamate
CID 129451895
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[3-(2-hydroxy-2,2-diphenylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11581988
tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
CID 174527062

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (CID 176897655) is tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is CC(C)(C)OC(=O)NC1C2CN(CCC3CCNCC3)CC21.
What is the InChIKey of tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The InChIKey is AUICEMSJBYQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)19-15-13-10-20(11-14(13)15)9-6-12-4-7-18-8-5-12/h12-15,18H,4-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 309.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 176897655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).