1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide

C17H23N3O3 — CID 154871558

IUPAC1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide
SMILESC[C@H](ONC(=O)C1(C2CCC(=O)NC2)CCC1)c1ccncc1
InChIInChI=1S/C17H23N3O3/c1-12(13-5-9-18-10-6-13)23-20-16(22)17(7-2-8-17)14-3-4-15(21)19-11-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t12-,14?/m0/s1
InChIKeyUYRGADUVFONNLZ-NBFOIZRFSA-N
MW317.39 g/mol
LogP1.89
Rot. Bonds5

About 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide

1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide (PubChem CID 154871558) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide
PubChem CID154871558
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide
SMILESC[C@H](ONC(=O)C1(C2CCC(=O)NC2)CCC1)c1ccncc1
InChIInChI=1S/C17H23N3O3/c1-12(13-5-9-18-10-6-13)23-20-16(22)17(7-2-8-17)14-3-4-15(21)19-11-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t12-,14?/m0/s1
InChIKeyUYRGADUVFONNLZ-NBFOIZRFSA-N
XLogP1.89
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide?
The IUPAC name of 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide (CID 154871558) is 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide is C[C@H](ONC(=O)C1(C2CCC(=O)NC2)CCC1)c1ccncc1.
What is the InChIKey of 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide?
The InChIKey is UYRGADUVFONNLZ-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(13-5-9-18-10-6-13)23-20-16(22)17(7-2-8-17)14-3-4-15(21)19-11-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,21)(H,20,22)/t12-,14?/m0/s1.
What are the key properties of 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide?
1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxopiperidin-3-yl)-N-[(1S)-1-pyridin-4-ylethoxy]cyclobutane-1-carboxamide is sourced from PubChem (CID 154871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).