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

C25H32N4O2 — CID 142170139

IUPAC3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCCC3=O)cc2)c1
InChIInChI=1S/C25H32N4O2/c26-25(31)19-7-6-9-22(17-19)28-15-5-3-8-23(28)18-27-20-11-13-21(14-12-20)29-16-4-1-2-10-24(29)30/h6-7,9,11-14,17,23,27H,1-5,8,10,15-16,18H2,(H2,26,31)
InChIKeyJDMLLVIDSXQZFJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.16
Rot. Bonds6

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

3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide (PubChem CID 142170139) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
PubChem CID142170139
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCCC3=O)cc2)c1
InChIInChI=1S/C25H32N4O2/c26-25(31)19-7-6-9-22(17-19)28-15-5-3-8-23(28)18-27-20-11-13-21(14-12-20)29-16-4-1-2-10-24(29)30/h6-7,9,11-14,17,23,27H,1-5,8,10,15-16,18H2,(H2,26,31)
InChIKeyJDMLLVIDSXQZFJ-UHFFFAOYSA-N
XLogP4.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
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
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The IUPAC name of 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide (CID 142170139) is 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The canonical SMILES for 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide is NC(=O)c1cccc(N2CCCCC2CNc2ccc(N3CCCCCC3=O)cc2)c1.
What is the InChIKey of 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
The InChIKey is JDMLLVIDSXQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c26-25(31)19-7-6-9-22(17-19)28-15-5-3-8-23(28)18-27-20-11-13-21(14-12-20)29-16-4-1-2-10-24(29)30/h6-7,9,11-14,17,23,27H,1-5,8,10,15-16,18H2,(H2,26,31).
What are the key properties of 3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide?
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 4.16, 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-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 142170139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).