4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C20H22N2O2 — CID 126484492

IUPAC4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-9-11-22(12-10-14)20(24)18-4-2-3-17(13-18)15-5-7-16(8-6-15)19(21)23/h2-8,13-14H,9-12H2,1H3,(H2,21,23)
InChIKeyCIKHLBUPMTVVRR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.32
Rot. Bonds3

About 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 126484492) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID126484492
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-9-11-22(12-10-14)20(24)18-4-2-3-17(13-18)15-5-7-16(8-6-15)19(21)23/h2-8,13-14H,9-12H2,1H3,(H2,21,23)
InChIKeyCIKHLBUPMTVVRR-UHFFFAOYSA-N
XLogP3.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332252
(3-ethynylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170459136
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 126484492) is 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is CIKHLBUPMTVVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-9-11-22(12-10-14)20(24)18-4-2-3-17(13-18)15-5-7-16(8-6-15)19(21)23/h2-8,13-14H,9-12H2,1H3,(H2,21,23).
What are the key properties of 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 126484492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).