methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate

C17H24N2O4 — CID 142573711

IUPACmethyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate
SMILESC/C=C\C1=C(C)CN(CC(=O)N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C17H24N2O4/c1-4-5-14-12(2)10-19(16(14)21)11-15(20)18-8-6-13(7-9-18)17(22)23-3/h4-5,13H,6-11H2,1-3H3/b5-4-
InChIKeyRGVPMTNXXKMXJY-PLNGDYQASA-N
MW320.39 g/mol
LogP1.13
Rot. Bonds4

About methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 142573711) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID142573711
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate
SMILESC/C=C\C1=C(C)CN(CC(=O)N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C17H24N2O4/c1-4-5-14-12(2)10-19(16(14)21)11-15(20)18-8-6-13(7-9-18)17(22)23-3/h4-5,13H,6-11H2,1-3H3/b5-4-
InChIKeyRGVPMTNXXKMXJY-PLNGDYQASA-N
XLogP1.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate (CID 142573711) is methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate is C/C=C\C1=C(C)CN(CC(=O)N2CCC(C(=O)OC)CC2)C1=O.
What is the InChIKey of methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is RGVPMTNXXKMXJY-PLNGDYQASA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-5-14-12(2)10-19(16(14)21)11-15(20)18-8-6-13(7-9-18)17(22)23-3/h4-5,13H,6-11H2,1-3H3/b5-4-.
What are the key properties of methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-methyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 142573711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).