2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone

C16H25N3O — CID 63230718

IUPAC2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)c1ccccc1N
InChIInChI=1S/C16H25N3O/c1-2-10-19(15-9-5-4-8-14(15)17)13-16(20)18-11-6-3-7-12-18/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3
InChIKeyDJVYPXYDUGVHDO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone

2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone (PubChem CID 63230718) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
PubChem CID63230718
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)c1ccccc1N
InChIInChI=1S/C16H25N3O/c1-2-10-19(15-9-5-4-8-14(15)17)13-16(20)18-11-6-3-7-12-18/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3
InChIKeyDJVYPXYDUGVHDO-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
1-(azepan-1-yl)-2-[N-(2-hydroxybutyl)anilino]ethanone
CID 110919057

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone (CID 63230718) is 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone is CCCN(CC(=O)N1CCCCC1)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone?
The InChIKey is DJVYPXYDUGVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-10-19(15-9-5-4-8-14(15)17)13-16(20)18-11-6-3-7-12-18/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone?
2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone has a molecular weight of 275.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 63230718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).