ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate

C22H31N3O6 — CID 126029620

IUPACethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1
InChIInChI=1S/C22H31N3O6/c1-4-31-22(28)25-14-12-24(13-15-25)20(26)16-8-10-23(11-9-16)21(27)19-17(29-2)6-5-7-18(19)30-3/h5-7,16H,4,8-15H2,1-3H3
InChIKeyBRGUQMKXKHMNAI-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.86
Rot. Bonds5

About ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 126029620) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID126029620
Molecular FormulaC22H31N3O6
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Nameethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1
InChIInChI=1S/C22H31N3O6/c1-4-31-22(28)25-14-12-24(13-15-25)20(26)16-8-10-23(11-9-16)21(27)19-17(29-2)6-5-7-18(19)30-3/h5-7,16H,4,8-15H2,1-3H3
InChIKeyBRGUQMKXKHMNAI-UHFFFAOYSA-N
XLogP1.86
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108567802
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 126029620) is ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is BRGUQMKXKHMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6/c1-4-31-22(28)25-14-12-24(13-15-25)20(26)16-8-10-23(11-9-16)21(27)19-17(29-2)6-5-7-18(19)30-3/h5-7,16H,4,8-15H2,1-3H3.
What are the key properties of ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 126029620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).