2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate

C19H34N2O4 — CID 171072871

IUPAC2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)N2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O4/c1-14(2)13-24-19(23)21-9-5-16(6-10-21)18(22)20-11-7-17(8-12-20)25-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyCHPPSEUWZMOUIJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.91
Rot. Bonds5

About 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate

2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 171072871) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID171072871
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)N2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O4/c1-14(2)13-24-19(23)21-9-5-16(6-10-21)18(22)20-11-7-17(8-12-20)25-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyCHPPSEUWZMOUIJ-UHFFFAOYSA-N
XLogP2.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate (CID 171072871) is 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(=O)N2CCC(OC(C)C)CC2)CC1.
What is the InChIKey of 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is CHPPSEUWZMOUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-14(2)13-24-19(23)21-9-5-16(6-10-21)18(22)20-11-7-17(8-12-20)25-15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 171072871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).