tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate

C16H32N4O3 — CID 103388270

IUPACtert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
SMILESCNC(=O)CN1CCC(NC(C)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N4O3/c1-12(10-18-15(22)23-16(2,3)4)19-13-6-8-20(9-7-13)11-14(21)17-5/h12-13,19H,6-11H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIKNOAKIDEPRXEB-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.70
Rot. Bonds6

About tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate

tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate (PubChem CID 103388270) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
PubChem CID103388270
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC Nametert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
SMILESCNC(=O)CN1CCC(NC(C)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N4O3/c1-12(10-18-15(22)23-16(2,3)4)19-13-6-8-20(9-7-13)11-14(21)17-5/h12-13,19H,6-11H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIKNOAKIDEPRXEB-UHFFFAOYSA-N
XLogP0.70
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate (CID 103388270) is tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate is CNC(=O)CN1CCC(NC(C)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate?
The InChIKey is IKNOAKIDEPRXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3/c1-12(10-18-15(22)23-16(2,3)4)19-13-6-8-20(9-7-13)11-14(21)17-5/h12-13,19H,6-11H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate?
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate has a molecular weight of 328.46 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate is sourced from PubChem (CID 103388270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).