tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

C21H33N3O2 — CID 129279853

IUPACtert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(CCN)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)26-20(25)24(17-9-12-23(13-10-17)14-11-22)19-15-18(19)16-7-5-4-6-8-16/h4-8,17-19H,9-15,22H2,1-3H3/t18-,19+/m0/s1
InChIKeyXVROIABPTLYXRK-RBUKOAKNSA-N
MW359.51 g/mol
LogP3.20
Rot. Bonds5

About tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 129279853) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
PubChem CID129279853
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nametert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(CCN)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)26-20(25)24(17-9-12-23(13-10-17)14-11-22)19-15-18(19)16-7-5-4-6-8-16/h4-8,17-19H,9-15,22H2,1-3H3/t18-,19+/m0/s1
InChIKeyXVROIABPTLYXRK-RBUKOAKNSA-N
XLogP3.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]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-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-[1-[2-(4-morpholin-4-ylphenoxy)ethyl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279826
tert-butyl N-[1-[3-(3-methylphenoxy)-2-oxopropyl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 134494162
tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129290819
tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 146423959
tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
CID 145307586
3-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]propanoic acid
CID 122641305
[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidin-4-yl]-[(1R,2S)-2-phenylcyclopropyl]carbamic acid
CID 129279639
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
(3S)-1-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]pyrrolidine-3-carboxylic acid
CID 155633143
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
methyl 2-[4-[[4-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]phenyl]acetate
CID 129098198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 129279853) is tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is CC(C)(C)OC(=O)N(C1CCN(CCN)CC1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The InChIKey is XVROIABPTLYXRK-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)26-20(25)24(17-9-12-23(13-10-17)14-11-22)19-15-18(19)16-7-5-4-6-8-16/h4-8,17-19H,9-15,22H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 129279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).