ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate

C16H30N2O3 — CID 23588410

IUPACethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N(CC(C)C)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-6-21-15(19)14-8-7-9-17(11-14)16(20)18(13(4)5)10-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNRRHRFLUPWIUJX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.75
Rot. Bonds5

About ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate

ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate (PubChem CID 23588410) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate
PubChem CID23588410
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N(CC(C)C)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-6-21-15(19)14-8-7-9-17(11-14)16(20)18(13(4)5)10-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNRRHRFLUPWIUJX-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate (CID 23588410) is ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N(CC(C)C)C(C)C)C1.
What is the InChIKey of ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is NRRHRFLUPWIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-21-15(19)14-8-7-9-17(11-14)16(20)18(13(4)5)10-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate?
ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 23588410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).