methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate

C23H30N2O5 — CID 24793925

IUPACmethyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H30N2O5/c1-29-23(28)20-7-2-3-12-25(20)22(27)17-5-4-6-19(15-17)30-18-10-13-24(14-11-18)21(26)16-8-9-16/h4-6,15-16,18,20H,2-3,7-14H2,1H3
InChIKeyGPAXWFPUMNSOBD-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.63
Rot. Bonds5

About methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate

methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate (PubChem CID 24793925) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
PubChem CID24793925
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namemethyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H30N2O5/c1-29-23(28)20-7-2-3-12-25(20)22(27)17-5-4-6-19(15-17)30-18-10-13-24(14-11-18)21(26)16-8-9-16/h4-6,15-16,18,20H,2-3,7-14H2,1H3
InChIKeyGPAXWFPUMNSOBD-UHFFFAOYSA-N
XLogP2.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
[4-[3-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]piperidin-1-yl]-cyclopropylmethanone
CID 45172491
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
CID 24790521
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate (CID 24793925) is methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate?
The InChIKey is GPAXWFPUMNSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-29-23(28)20-7-2-3-12-25(20)22(27)17-5-4-6-19(15-17)30-18-10-13-24(14-11-18)21(26)16-8-9-16/h4-6,15-16,18,20H,2-3,7-14H2,1H3.
What are the key properties of methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate?
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate has a molecular weight of 414.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 24793925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).