1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone

C20H29N3O2 — CID 54843401

IUPAC1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
SMILESCC1CCN(C(=O)CNc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-8-12-22(13-9-16)19(24)15-21-18-7-5-6-17(14-18)20(25)23-10-3-2-4-11-23/h5-7,14,16,21H,2-4,8-13,15H2,1H3
InChIKeyVMXGXDNVPVGIHT-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone

1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone (PubChem CID 54843401) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
PubChem CID54843401
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
SMILESCC1CCN(C(=O)CNc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-8-12-22(13-9-16)19(24)15-21-18-7-5-6-17(14-18)20(25)23-10-3-2-4-11-23/h5-7,14,16,21H,2-4,8-13,15H2,1H3
InChIKeyVMXGXDNVPVGIHT-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841093
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
(4-methylazepan-1-yl)-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 126820564
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone (CID 54843401) is 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone is CC1CCN(C(=O)CNc2cccc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone?
The InChIKey is VMXGXDNVPVGIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-8-12-22(13-9-16)19(24)15-21-18-7-5-6-17(14-18)20(25)23-10-3-2-4-11-23/h5-7,14,16,21H,2-4,8-13,15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone?
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone has a molecular weight of 343.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone is sourced from PubChem (CID 54843401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).