benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide

C22H26N4O4 — CID 66934139

IUPACbenzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
SMILESCc1cc(C(N)=O)ccc1C(=O)N1CCCCC1.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O2.C8H8N2O2/c1-10-9-11(13(15)17)5-6-12(10)14(18)16-7-3-2-4-8-16;9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6,9H,2-4,7-8H2,1H3,(H2,15,17);1-4H,(H2,9,11)(H2,10,12)
InChIKeyKIHLBBXRMNRRDQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.60
Rot. Bonds4

About benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide

benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide (PubChem CID 66934139) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Namebenzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
PubChem CID66934139
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Namebenzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
SMILESCc1cc(C(N)=O)ccc1C(=O)N1CCCCC1.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O2.C8H8N2O2/c1-10-9-11(13(15)17)5-6-12(10)14(18)16-7-3-2-4-8-16;9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6,9H,2-4,7-8H2,1H3,(H2,15,17);1-4H,(H2,9,11)(H2,10,12)
InChIKeyKIHLBBXRMNRRDQ-UHFFFAOYSA-N
XLogP1.60
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 154359257
azepan-1-yl-[4-[(Z)-but-2-en-2-yl]-3-methylphenyl]methanone
CID 144998488
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
(4-ethynyl-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 87085173
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide?
The IUPAC name of benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide (CID 66934139) is benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide is Cc1cc(C(N)=O)ccc1C(=O)N1CCCCC1.NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide?
The InChIKey is KIHLBBXRMNRRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C8H8N2O2/c1-10-9-11(13(15)17)5-6-12(10)14(18)16-7-3-2-4-8-16;9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6,9H,2-4,7-8H2,1H3,(H2,15,17);1-4H,(H2,9,11)(H2,10,12).
What are the key properties of benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide?
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 66934139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).