tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate

C18H35N3O2 — CID 107246413

IUPACtert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
SMILESCC(CC1CCCCN1)NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H35N3O2/c1-14(13-15-7-5-6-10-20-15)19-11-12-21(16-8-9-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3
InChIKeyAYLHAIDOQZHBOI-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate (PubChem CID 107246413) 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-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
PubChem CID107246413
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
SMILESCC(CC1CCCCN1)NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H35N3O2/c1-14(13-15-7-5-6-10-20-15)19-11-12-21(16-8-9-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3
InChIKeyAYLHAIDOQZHBOI-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
CID 107244961
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
CID 106274610

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate (CID 107246413) is tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate is CC(CC1CCCCN1)NCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate?
The InChIKey is AYLHAIDOQZHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(13-15-7-5-6-10-20-15)19-11-12-21(16-8-9-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107246413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).