tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate

C21H33N3O2 — CID 102541132

IUPACtert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1
InChIInChI=1S/C21H33N3O2/c1-5-13-23-14-7-6-8-18(23)16-9-12-19(22-15-16)24(17-10-11-17)20(25)26-21(2,3)4/h9,12,15,17-18H,5-8,10-11,13-14H2,1-4H3
InChIKeyGYMCZHUKNAIDHB-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.92
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541132) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541132
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nametert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
SMILESCCCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1
InChIInChI=1S/C21H33N3O2/c1-5-13-23-14-7-6-8-18(23)16-9-12-19(22-15-16)24(17-10-11-17)20(25)26-21(2,3)4/h9,12,15,17-18H,5-8,10-11,13-14H2,1-4H3
InChIKeyGYMCZHUKNAIDHB-UHFFFAOYSA-N
XLogP4.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541195
tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541139
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
benzyl 2-[6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541138
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540702
tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540798
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540926
tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540942
tert-butyl N-butan-2-yl-N-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541066
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
CID 102540766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate (CID 102541132) is tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate is CCCN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is GYMCZHUKNAIDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-13-23-14-7-6-8-18(23)16-9-12-19(22-15-16)24(17-10-11-17)20(25)26-21(2,3)4/h9,12,15,17-18H,5-8,10-11,13-14H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).