tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate

C15H29N3O3 — CID 68742391

IUPACtert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCNC1CN(C(=O)CCNC(=O)OC(C)(C)C)CCC1C
InChIInChI=1S/C15H29N3O3/c1-11-7-9-18(10-12(11)16-5)13(19)6-8-17-14(20)21-15(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,17,20)
InChIKeyXYFOSMWURTVRSX-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.36
Rot. Bonds4

About tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 68742391) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID68742391
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCNC1CN(C(=O)CCNC(=O)OC(C)(C)C)CCC1C
InChIInChI=1S/C15H29N3O3/c1-11-7-9-18(10-12(11)16-5)13(19)6-8-17-14(20)21-15(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,17,20)
InChIKeyXYFOSMWURTVRSX-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 172590820
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
tert-butyl N-[3-oxo-3-[4-(prop-2-enoylamino)piperidin-1-yl]propyl]carbamate
CID 108919759
tert-butyl N-[3-[4-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919554
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl N-[3-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 55734190
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
CID 122158230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate (CID 68742391) is tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate is CNC1CN(C(=O)CCNC(=O)OC(C)(C)C)CCC1C.
What is the InChIKey of tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is XYFOSMWURTVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11-7-9-18(10-12(11)16-5)13(19)6-8-17-14(20)21-15(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 68742391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).