tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate

C20H32N4O2 — CID 155453348

IUPACtert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
SMILESC=C(NCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C
InChIInChI=1S/C20H32N4O2/c1-14-9-8-12-21-18(14)17-11-7-10-16(24(17)6)15(2)22-13-23-19(25)26-20(3,4)5/h8-9,12,16-17,22H,2,7,10-11,13H2,1,3-6H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyDXSLVSKEVLQGPG-SJORKVTESA-N
MW360.50 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate

tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate (PubChem CID 155453348) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
PubChem CID155453348
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
SMILESC=C(NCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C
InChIInChI=1S/C20H32N4O2/c1-14-9-8-12-21-18(14)17-11-7-10-16(24(17)6)15(2)22-13-23-19(25)26-20(3,4)5/h8-9,12,16-17,22H,2,7,10-11,13H2,1,3-6H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyDXSLVSKEVLQGPG-SJORKVTESA-N
XLogP3.50
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
tert-butyl N-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]prop-2-ynyl]carbamate
CID 155453416
N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
CID 155453409
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
CID 162531820
tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 166909965
2-[6-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2-pyridinyl]acetamide
CID 162531904
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
CID 143224794
tert-butyl N-[[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]carbamate
CID 97174530

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate (CID 155453348) is tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate is C=C(NCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C.
What is the InChIKey of tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate?
The InChIKey is DXSLVSKEVLQGPG-SJORKVTESA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14-9-8-12-21-18(14)17-11-7-10-16(24(17)6)15(2)22-13-23-19(25)26-20(3,4)5/h8-9,12,16-17,22H,2,7,10-11,13H2,1,3-6H3,(H,23,25)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate?
tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate is sourced from PubChem (CID 155453348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).