tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate

C24H32N4O3 — CID 133395591

IUPACtert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)cc1
InChIInChI=1S/C24H32N4O3/c1-16-6-9-19(10-7-16)26-22(29)18-8-11-21(25-15-18)28-13-12-20(14-17(28)2)27-23(30)31-24(3,4)5/h6-11,15,17,20H,12-14H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyFMLGUPNLJOHHCU-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.52
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate

tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 133395591) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID133395591
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Nametert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)cc1
InChIInChI=1S/C24H32N4O3/c1-16-6-9-19(10-7-16)26-22(29)18-8-11-21(25-15-18)28-13-12-20(14-17(28)2)27-23(30)31-24(3,4)5/h6-11,15,17,20H,12-14H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyFMLGUPNLJOHHCU-UHFFFAOYSA-N
XLogP4.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395610
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
CID 137258135
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
tert-butyl N-[2-methyl-1-(2-nitrophenyl)piperidin-4-yl]carbamate
CID 133395563
tert-butyl N-[1-(1-chloroisoquinolin-3-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395576
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
CID 44527531

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 133395591) is tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate is Cc1ccc(NC(=O)c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3C)nc2)cc1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is FMLGUPNLJOHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-6-9-19(10-7-16)26-22(29)18-8-11-21(25-15-18)28-13-12-20(14-17(28)2)27-23(30)31-24(3,4)5/h6-11,15,17,20H,12-14H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate?
tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 424.55 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 133395591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).