methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate

C22H30N2O6 — CID 24790521

IUPACmethyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C22H30N2O6/c1-15(25)23-12-9-17(10-13-23)30-19-8-7-16(14-20(19)28-2)21(26)24-11-5-4-6-18(24)22(27)29-3/h7-8,14,17-18H,4-6,9-13H2,1-3H3
InChIKeyHDCSWCQFFVYNDS-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.25
Rot. Bonds5

About methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate

methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate (PubChem CID 24790521) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
PubChem CID24790521
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Namemethyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C22H30N2O6/c1-15(25)23-12-9-17(10-13-23)30-19-8-7-16(14-20(19)28-2)21(26)24-11-5-4-6-18(24)22(27)29-3/h7-8,14,17-18H,4-6,9-13H2,1-3H3
InChIKeyHDCSWCQFFVYNDS-UHFFFAOYSA-N
XLogP2.25
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate (CID 24790521) is methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1.
What is the InChIKey of methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate?
The InChIKey is HDCSWCQFFVYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6/c1-15(25)23-12-9-17(10-13-23)30-19-8-7-16(14-20(19)28-2)21(26)24-11-5-4-6-18(24)22(27)29-3/h7-8,14,17-18H,4-6,9-13H2,1-3H3.
What are the key properties of methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate?
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 24790521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).