(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide

C16H23N3O2 — CID 95767644

IUPAC(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide
SMILESC=CCO[C@@H](C)C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-3-11-21-13(2)16(20)18-14-12-17-8-7-15(14)19-9-5-4-6-10-19/h3,7-8,12-13H,1,4-6,9-11H2,2H3,(H,18,20)/t13-/m0/s1
InChIKeyXXYXUQGWTZTWMX-ZDUSSCGKSA-N
MW289.38 g/mol
LogP2.60
Rot. Bonds6

About (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide

(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide (PubChem CID 95767644) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide
PubChem CID95767644
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide
SMILESC=CCO[C@@H](C)C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-3-11-21-13(2)16(20)18-14-12-17-8-7-15(14)19-9-5-4-6-10-19/h3,7-8,12-13H,1,4-6,9-11H2,2H3,(H,18,20)/t13-/m0/s1
InChIKeyXXYXUQGWTZTWMX-ZDUSSCGKSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.60
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 (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide?
The IUPAC name of (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide (CID 95767644) is (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide.
What is the SMILES notation for (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide?
The canonical SMILES for (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide is C=CCO[C@@H](C)C(=O)Nc1cnccc1N1CCCCC1.
What is the InChIKey of (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide?
The InChIKey is XXYXUQGWTZTWMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-11-21-13(2)16(20)18-14-12-17-8-7-15(14)19-9-5-4-6-10-19/h3,7-8,12-13H,1,4-6,9-11H2,2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide?
(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide is sourced from PubChem (CID 95767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).