tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate

C18H37N3O2 — CID 107245567

IUPACtert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)C1CCCN(C)C1
InChIInChI=1S/C18H37N3O2/c1-14(2)21(17(22)23-18(4,5)6)12-10-19-15(3)16-9-8-11-20(7)13-16/h14-16,19H,8-13H2,1-7H3
InChIKeyAAYDEFXBMXHOKZ-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.95
Rot. Bonds6

About tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245567) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
PubChem CID107245567
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)C1CCCN(C)C1
InChIInChI=1S/C18H37N3O2/c1-14(2)21(17(22)23-18(4,5)6)12-10-19-15(3)16-9-8-11-20(7)13-16/h14-16,19H,8-13H2,1-7H3
InChIKeyAAYDEFXBMXHOKZ-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate 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-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
CID 107250773
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 107094221
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
tert-butyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553709
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate (CID 107245567) is tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)C)C1CCCN(C)C1.
What is the InChIKey of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is AAYDEFXBMXHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-14(2)21(17(22)23-18(4,5)6)12-10-19-15(3)16-9-8-11-20(7)13-16/h14-16,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 327.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).