ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

C16H27N3O4 — CID 47905503

IUPACethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H27N3O4/c1-4-23-16(22)17-13-5-7-18(8-6-13)15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyHVUIZVLQVAWFHM-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.98
Rot. Bonds4

About ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (PubChem CID 47905503) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
PubChem CID47905503
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nameethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H27N3O4/c1-4-23-16(22)17-13-5-7-18(8-6-13)15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,22)
InChIKeyHVUIZVLQVAWFHM-UHFFFAOYSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (CID 47905503) is ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is HVUIZVLQVAWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-4-23-16(22)17-13-5-7-18(8-6-13)15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,22).
What are the key properties of ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 47905503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).