(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide

C21H24N4O2 — CID 95378636

IUPAC(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H24N4O2/c1-16(27-19-7-3-2-4-8-19)21(26)24-15-17-9-12-25(13-10-17)20-18(14-22)6-5-11-23-20/h2-8,11,16-17H,9-10,12-13,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyCJAYYODDWAPAON-INIZCTEOSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds6

About (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide

(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide (PubChem CID 95378636) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
PubChem CID95378636
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H24N4O2/c1-16(27-19-7-3-2-4-8-19)21(26)24-15-17-9-12-25(13-10-17)20-18(14-22)6-5-11-23-20/h2-8,11,16-17H,9-10,12-13,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyCJAYYODDWAPAON-INIZCTEOSA-N
XLogP2.75
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide (CID 95378636) is (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The InChIKey is CJAYYODDWAPAON-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(27-19-7-3-2-4-8-19)21(26)24-15-17-9-12-25(13-10-17)20-18(14-22)6-5-11-23-20/h2-8,11,16-17H,9-10,12-13,15H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide has a molecular weight of 364.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 95378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).