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

C24H34N4O2 — CID 169204008

IUPACtert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C24H34N4O2/c1-17-9-7-13-25-21(17)19-11-6-12-20(22-18(2)10-8-14-26-22)28(19)16-15-27-23(29)30-24(3,4)5/h7-10,13-14,19-20H,6,11-12,15-16H2,1-5H3,(H,27,29)/t19-,20+
InChIKeyNKKKMHFJFDBGIA-BGYRXZFFSA-N
MW410.56 g/mol
LogP4.89
Rot. Bonds5

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

tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate (PubChem CID 169204008) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
PubChem CID169204008
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Nametert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C24H34N4O2/c1-17-9-7-13-25-21(17)19-11-6-12-20(22-18(2)10-8-14-26-22)28(19)16-15-27-23(29)30-24(3,4)5/h7-10,13-14,19-20H,6,11-12,15-16H2,1-5H3,(H,27,29)/t19-,20+
InChIKeyNKKKMHFJFDBGIA-BGYRXZFFSA-N
XLogP4.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
CID 155453348
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
tert-butyl (6S)-2-[6-[methoxy(methyl)carbamoyl]-2-pyridinyl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 166909965
[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
CID 67421095
tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 144936831
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
CID 155453338
methyl 2-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-5-cyanobenzoate
CID 67422353
[2-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-5-(hydroxymethyl)phenyl]methylurea
CID 11305693
ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
CID 162531820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate (CID 169204008) is tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate is Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is NKKKMHFJFDBGIA-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-17-9-7-13-25-21(17)19-11-6-12-20(22-18(2)10-8-14-26-22)28(19)16-15-27-23(29)30-24(3,4)5/h7-10,13-14,19-20H,6,11-12,15-16H2,1-5H3,(H,27,29)/t19-,20+.
What are the key properties of tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 410.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 169204008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).