tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate

C22H37N3O2 — CID 102540942

IUPACtert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
SMILESCC(C)CN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C22H37N3O2/c1-16(2)15-24-13-9-8-10-19(24)18-11-12-20(23-14-18)25(17(3)4)21(26)27-22(5,6)7/h11-12,14,16-17,19H,8-10,13,15H2,1-7H3
InChIKeyNKOMTUGBRZDLPM-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.41
Rot. Bonds5

About tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate

tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate (PubChem CID 102540942) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
PubChem CID102540942
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Nametert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
SMILESCC(C)CN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C22H37N3O2/c1-16(2)15-24-13-9-8-10-19(24)18-11-12-20(23-14-18)25(17(3)4)21(26)27-22(5,6)7/h11-12,14,16-17,19H,8-10,13,15H2,1-7H3
InChIKeyNKOMTUGBRZDLPM-UHFFFAOYSA-N
XLogP5.41
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540926
tert-butyl N-butyl-N-[5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 102540996
tert-butyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540929
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
tert-butyl N-cyclobutyl-N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541195
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541132
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-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541139
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate (CID 102540942) is tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate is CC(C)CN1CCCCC1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate?
The InChIKey is NKOMTUGBRZDLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-16(2)15-24-13-9-8-10-19(24)18-11-12-20(23-14-18)25(17(3)4)21(26)27-22(5,6)7/h11-12,14,16-17,19H,8-10,13,15H2,1-7H3.
What are the key properties of tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate?
tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate has a molecular weight of 375.56 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 102540942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).