1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid

C19H30N2O5 — CID 22466225

IUPAC1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC=C(CCC(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h8,15H,4-7,9-13H2,1-3H3,(H,23,24)
InChIKeyHXXQVUQQUXVWEX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid

1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid (PubChem CID 22466225) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid
PubChem CID22466225
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC=C(CCC(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h8,15H,4-7,9-13H2,1-3H3,(H,23,24)
InChIKeyHXXQVUQQUXVWEX-UHFFFAOYSA-N
XLogP2.66
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid (CID 22466225) is 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC=C(CCC(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is HXXQVUQQUXVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h8,15H,4-7,9-13H2,1-3H3,(H,23,24).
What are the key properties of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid?
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 22466225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).