4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide

C15H19N3O — CID 83022536

IUPAC4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide
SMILESNCC#Cc1ccc(C(=O)NN2CCCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-10-4-5-13-6-8-14(9-7-13)15(19)17-18-11-2-1-3-12-18/h6-9H,1-3,10-12,16H2,(H,17,19)
InChIKeyQQUJBBNARQWGIC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.13
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide

4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide (PubChem CID 83022536) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide
PubChem CID83022536
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide
SMILESNCC#Cc1ccc(C(=O)NN2CCCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-10-4-5-13-6-8-14(9-7-13)15(19)17-18-11-2-1-3-12-18/h6-9H,1-3,10-12,16H2,(H,17,19)
InChIKeyQQUJBBNARQWGIC-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
CID 83022965
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
CID 65043007
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
[4-(3-aminoprop-1-ynyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636809
N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
5-[4-(3-aminoprop-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 59232507
[4-(pyrrolidin-1-ylcarbamoyl)phenyl]boronic acid
CID 68892192
3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83023741
5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
CID 83023656

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide (CID 83022536) is 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide is NCC#Cc1ccc(C(=O)NN2CCCCC2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide?
The InChIKey is QQUJBBNARQWGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-4-5-13-6-8-14(9-7-13)15(19)17-18-11-2-1-3-12-18/h6-9H,1-3,10-12,16H2,(H,17,19).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide?
4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83022536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).