tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate

C18H29N3O2 — CID 102540684

IUPACtert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCCN1CCCCC1c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-5-12-21-13-7-6-10-15(21)14-9-8-11-19-16(14)20-17(22)23-18(2,3)4/h8-9,11,15H,5-7,10,12-13H2,1-4H3,(H,19,20,22)
InChIKeyGUEJEBAKBFDSMD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102540684) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102540684
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCCN1CCCCC1c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-5-12-21-13-7-6-10-15(21)14-9-8-11-19-16(14)20-17(22)23-18(2,3)4/h8-9,11,15H,5-7,10,12-13H2,1-4H3,(H,19,20,22)
InChIKeyGUEJEBAKBFDSMD-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
tert-butyl N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540668
N-cyclopropyl-3-(1-propylpiperidin-2-yl)pyridin-2-amine
CID 102540332
N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
CID 102540271
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 124552679
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102540684) is tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate is CCCN1CCCCC1c1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is GUEJEBAKBFDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-12-21-13-7-6-10-15(21)14-9-8-11-19-16(14)20-17(22)23-18(2,3)4/h8-9,11,15H,5-7,10,12-13H2,1-4H3,(H,19,20,22).
What are the key properties of tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102540684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).