[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C22H34N4O4 — CID 90351228

IUPAC[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)OC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C22H34N4O4/c1-16(2)24-11-13-26(14-12-24)22(28)30-19-7-9-25(10-8-19)20-6-5-18(15-23-20)21(27)29-17(3)4/h5-6,15-17,19H,7-14H2,1-4H3
InChIKeyIIDWRCSIRLZSTB-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.78
Rot. Bonds5

About [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 90351228) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID90351228
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)OC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1
InChIInChI=1S/C22H34N4O4/c1-16(2)24-11-13-26(14-12-24)22(28)30-19-7-9-25(10-8-19)20-6-5-18(15-23-20)21(27)29-17(3)4/h5-6,15-17,19H,7-14H2,1-4H3
InChIKeyIIDWRCSIRLZSTB-UHFFFAOYSA-N
XLogP2.78
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 90351228) is [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)OC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1.
What is the InChIKey of [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is IIDWRCSIRLZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-16(2)24-11-13-26(14-12-24)22(28)30-19-7-9-25(10-8-19)20-6-5-18(15-23-20)21(27)29-17(3)4/h5-6,15-17,19H,7-14H2,1-4H3.
What are the key properties of [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 418.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-propan-2-yloxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 90351228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).