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

C18H35N3O2 — CID 103780903

IUPACtert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(C)CC1
InChIInChI=1S/C18H35N3O2/c1-14(15-8-11-20(5)12-9-15)19-10-13-21(16-6-7-16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyXODCKSIQXBASEL-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.71
Rot. Bonds6

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

tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate (PubChem CID 103780903) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
PubChem CID103780903
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(C)CC1
InChIInChI=1S/C18H35N3O2/c1-14(15-8-11-20(5)12-9-15)19-10-13-21(16-6-7-16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyXODCKSIQXBASEL-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245567
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
CID 43308231
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate (CID 103780903) is tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(C)CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate?
The InChIKey is XODCKSIQXBASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(15-8-11-20(5)12-9-15)19-10-13-21(16-6-7-16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103780903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).