methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate

C24H29N3O4 — CID 90617337

IUPACmethyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C24H29N3O4/c1-30-24(29)22-5-3-2-4-21(22)23(28)27-14-8-18(9-15-27)26-16-10-20(11-17-26)31-19-6-12-25-13-7-19/h2-7,12-13,18,20H,8-11,14-17H2,1H3
InChIKeyFLQRQSOSRMASRT-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.02
Rot. Bonds5

About methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate

methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate (PubChem CID 90617337) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
PubChem CID90617337
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namemethyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C24H29N3O4/c1-30-24(29)22-5-3-2-4-21(22)23(28)27-14-8-18(9-15-27)26-16-10-20(11-17-26)31-19-6-12-25-13-7-19/h2-7,12-13,18,20H,8-11,14-17H2,1H3
InChIKeyFLQRQSOSRMASRT-UHFFFAOYSA-N
XLogP3.02
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 90617112
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 90617379
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate (CID 90617337) is methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate is COC(=O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate?
The InChIKey is FLQRQSOSRMASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-24(29)22-5-3-2-4-21(22)23(28)27-14-8-18(9-15-27)26-16-10-20(11-17-26)31-19-6-12-25-13-7-19/h2-7,12-13,18,20H,8-11,14-17H2,1H3.
What are the key properties of methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate?
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate has a molecular weight of 423.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 90617337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).