3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide

C17H23N3O — CID 28801310

IUPAC3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-14-15-6-8-16(9-7-15)19-17(21)10-13-20-11-4-2-1-3-5-12-20/h6-9H,1-5,10-13H2,(H,19,21)
InChIKeyLUNJVBJYXGYNLZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds4

About 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide

3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 28801310) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID28801310
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-14-15-6-8-16(9-7-15)19-17(21)10-13-20-11-4-2-1-3-5-12-20/h6-9H,1-5,10-13H2,(H,19,21)
InChIKeyLUNJVBJYXGYNLZ-UHFFFAOYSA-N
XLogP3.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62058920
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
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3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
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N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
N-(4-cyanophenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687959

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide (CID 28801310) is 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCN2CCCCCCC2)cc1.
What is the InChIKey of 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is LUNJVBJYXGYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-14-15-6-8-16(9-7-15)19-17(21)10-13-20-11-4-2-1-3-5-12-20/h6-9H,1-5,10-13H2,(H,19,21).
What are the key properties of 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide?
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 28801310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).