1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one

C15H23N3O — CID 90875679

IUPAC1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one
SMILESNc1ccc(NCC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-13-4-6-14(7-5-13)17-12-15(19)8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-12,16H2
InChIKeyOFQVICNUZNHPLZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds6

About 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one

1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one (PubChem CID 90875679) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one
PubChem CID90875679
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one
SMILESNc1ccc(NCC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-13-4-6-14(7-5-13)17-12-15(19)8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-12,16H2
InChIKeyOFQVICNUZNHPLZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
N-(4-Piperidinyl)phenylacetamide
CID 74156
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
4-(Piperidin-1-yl)aniline
CID 413501
N-Phenyl-1-piperidineacetamide
CID 78402
N-(4-(Diethylamino)phenyl)acetamide
CID 21400
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
1-Phenyl-4-piperidinone
CID 413009
1-(4-Aminophenyl)piperazine
CID 422925
(E)-1-[4-(dimethylamino)anilino]-4,4-dimethylpent-1-en-3-one
CID 2187659
3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide
CID 3145287
N-(4-piperidinophenyl)butanamide
CID 878069

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one?
The IUPAC name of 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one (CID 90875679) is 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one?
The canonical SMILES for 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one is Nc1ccc(NCC(=O)CCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one?
The InChIKey is OFQVICNUZNHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-4-6-14(7-5-13)17-12-15(19)8-11-18-9-2-1-3-10-18/h4-7,17H,1-3,8-12,16H2.
What are the key properties of 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one?
1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoanilino)-4-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 90875679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).