[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate

C27H32N4O5 — CID 66825814

IUPAC[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3OC(C)C=C3OC(=O)O)CC4)CC2)ccn1
InChIInChI=1S/C27H32N4O5/c1-17-14-22(8-11-28-17)30-12-9-21(10-13-30)29(3)26(32)20-5-4-19-6-7-24(23(19)16-20)31-25(35-27(33)34)15-18(2)36-31/h4-5,8,11,14-16,18,21,24H,6-7,9-10,12-13H2,1-3H3,(H,33,34)/t18?,24-/m1/s1
InChIKeyBPLBSXVRRHXUAD-VCUSLETLSA-N
MW492.58 g/mol
LogP4.29
Rot. Bonds5

About [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate

[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate (PubChem CID 66825814) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate
PubChem CID66825814
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3OC(C)C=C3OC(=O)O)CC4)CC2)ccn1
InChIInChI=1S/C27H32N4O5/c1-17-14-22(8-11-28-17)30-12-9-21(10-13-30)29(3)26(32)20-5-4-19-6-7-24(23(19)16-20)31-25(35-27(33)34)15-18(2)36-31/h4-5,8,11,14-16,18,21,24H,6-7,9-10,12-13H2,1-3H3,(H,33,34)/t18?,24-/m1/s1
InChIKeyBPLBSXVRRHXUAD-VCUSLETLSA-N
XLogP4.29
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate?
The IUPAC name of [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate (CID 66825814) is [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate.
What is the SMILES notation for [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate?
The canonical SMILES for [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N3OC(C)C=C3OC(=O)O)CC4)CC2)ccn1.
What is the InChIKey of [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate?
The InChIKey is BPLBSXVRRHXUAD-VCUSLETLSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-17-14-22(8-11-28-17)30-12-9-21(10-13-30)29(3)26(32)20-5-4-19-6-7-24(23(19)16-20)31-25(35-27(33)34)15-18(2)36-31/h4-5,8,11,14-16,18,21,24H,6-7,9-10,12-13H2,1-3H3,(H,33,34)/t18?,24-/m1/s1.
What are the key properties of [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate?
[5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate has a molecular weight of 492.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[(1R)-6-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-5H-1,2-oxazol-3-yl] hydrogen carbonate is sourced from PubChem (CID 66825814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).