piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone

C20H25N3O4 — CID 109226421

IUPACpiperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
SMILESCOc1cc(Nc2cncc(C(=O)N3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)22-16-9-14(12-21-13-16)20(24)23-7-5-4-6-8-23/h9-13,22H,4-8H2,1-3H3
InChIKeyXQDLNMPFWUKUBV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.48
Rot. Bonds6

About piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone

piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone (PubChem CID 109226421) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
PubChem CID109226421
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namepiperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
SMILESCOc1cc(Nc2cncc(C(=O)N3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)22-16-9-14(12-21-13-16)20(24)23-7-5-4-6-8-23/h9-13,22H,4-8H2,1-3H3
InChIKeyXQDLNMPFWUKUBV-UHFFFAOYSA-N
XLogP3.48
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone (CID 109226421) is piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone is COc1cc(Nc2cncc(C(=O)N3CCCCC3)c2)cc(OC)c1OC.
What is the InChIKey of piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone?
The InChIKey is XQDLNMPFWUKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)22-16-9-14(12-21-13-16)20(24)23-7-5-4-6-8-23/h9-13,22H,4-8H2,1-3H3.
What are the key properties of piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone?
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).