1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one

C22H27N3O — CID 139001524

IUPAC1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one
SMILESO=C1C(Nc2ccc(N3CCCCC3)cc2)CCCN1c1ccccc1
InChIInChI=1S/C22H27N3O/c26-22-21(10-7-17-25(22)20-8-3-1-4-9-20)23-18-11-13-19(14-12-18)24-15-5-2-6-16-24/h1,3-4,8-9,11-14,21,23H,2,5-7,10,15-17H2
InChIKeyAOYIGNOAHBJSEV-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.28
Rot. Bonds4

About 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one

1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one (PubChem CID 139001524) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one
PubChem CID139001524
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one
SMILESO=C1C(Nc2ccc(N3CCCCC3)cc2)CCCN1c1ccccc1
InChIInChI=1S/C22H27N3O/c26-22-21(10-7-17-25(22)20-8-3-1-4-9-20)23-18-11-13-19(14-12-18)24-15-5-2-6-16-24/h1,3-4,8-9,11-14,21,23H,2,5-7,10,15-17H2
InChIKeyAOYIGNOAHBJSEV-UHFFFAOYSA-N
XLogP4.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-1-phenylazepan-2-one
CID 20589821
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
(3S)-1-butyl-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
CID 7366431
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
3-amino-1-phenylazepan-2-one
CID 59657864
3-bromo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 63790358
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
CID 63179546

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one?
The IUPAC name of 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one (CID 139001524) is 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one.
What is the SMILES notation for 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one?
The canonical SMILES for 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one is O=C1C(Nc2ccc(N3CCCCC3)cc2)CCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one?
The InChIKey is AOYIGNOAHBJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22-21(10-7-17-25(22)20-8-3-1-4-9-20)23-18-11-13-19(14-12-18)24-15-5-2-6-16-24/h1,3-4,8-9,11-14,21,23H,2,5-7,10,15-17H2.
What are the key properties of 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one?
1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one is sourced from PubChem (CID 139001524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).