3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide

C24H30N4O2 — CID 10294777

IUPAC3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H30N4O2/c25-24(30)18-6-5-8-21(16-18)27-14-3-1-7-22(27)17-26-19-10-12-20(13-11-19)28-15-4-2-9-23(28)29/h5-6,8,10-13,16,22,26H,1-4,7,9,14-15,17H2,(H2,25,30)
InChIKeyRKAFZHGFBNOSLF-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.77
Rot. Bonds6

About 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide

3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide (PubChem CID 10294777) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
PubChem CID10294777
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H30N4O2/c25-24(30)18-6-5-8-21(16-18)27-14-3-1-7-22(27)17-26-19-10-12-20(13-11-19)28-15-4-2-9-23(28)29/h5-6,8,10-13,16,22,26H,1-4,7,9,14-15,17H2,(H2,25,30)
InChIKeyRKAFZHGFBNOSLF-UHFFFAOYSA-N
XLogP3.77
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide
CID 10201455
2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
CID 10228430
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
CID 12018193
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-[2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopenten-1-yl]benzamide
CID 10272515
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
CID 69337383
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide
CID 174456306
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The IUPAC name of 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide (CID 10294777) is 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The canonical SMILES for 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide is NC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The InChIKey is RKAFZHGFBNOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c25-24(30)18-6-5-8-21(16-18)27-14-3-1-7-22(27)17-26-19-10-12-20(13-11-19)28-15-4-2-9-23(28)29/h5-6,8,10-13,16,22,26H,1-4,7,9,14-15,17H2,(H2,25,30).
What are the key properties of 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 10294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).