tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate

C16H31N3O2 — CID 107237567

IUPACtert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-11(12-6-8-19(5)9-7-12)17-13-10-14(13)18-15(20)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3,(H,18,20)
InChIKeyOWGXDBGJGLQOHE-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate (PubChem CID 107237567) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
PubChem CID107237567
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-11(12-6-8-19(5)9-7-12)17-13-10-14(13)18-15(20)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3,(H,18,20)
InChIKeyOWGXDBGJGLQOHE-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]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-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
CID 167292263
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate (CID 107237567) is tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate is CC(NC1CC1NC(=O)OC(C)(C)C)C1CCN(C)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate?
The InChIKey is OWGXDBGJGLQOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(12-6-8-19(5)9-7-12)17-13-10-14(13)18-15(20)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).