2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate

C18H33N3O3 — CID 171072597

IUPAC2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)13-24-18(23)21-11-9-20(10-12-21)17(22)16-5-7-19(8-6-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyZRGSPAJTTKOQIZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.04
Rot. Bonds4

About 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate

2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 171072597) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate
PubChem CID171072597
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)13-24-18(23)21-11-9-20(10-12-21)17(22)16-5-7-19(8-6-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyZRGSPAJTTKOQIZ-UHFFFAOYSA-N
XLogP2.04
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate (CID 171072597) is 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C(=O)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is ZRGSPAJTTKOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)13-24-18(23)21-11-9-20(10-12-21)17(22)16-5-7-19(8-6-16)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate?
2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 171072597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).