ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate

C20H28N2O6S — CID 92671777

IUPACethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H28N2O6S/c1-2-28-20(24)18-7-9-21(10-8-18)19(23)17-5-3-16(4-6-17)15-29(25,26)22-11-13-27-14-12-22/h3-6,18H,2,7-15H2,1H3
InChIKeyRSVPNEXKKYIQJJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.26
Rot. Bonds6

About ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 92671777) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate
PubChem CID92671777
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Nameethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H28N2O6S/c1-2-28-20(24)18-7-9-21(10-8-18)19(23)17-5-3-16(4-6-17)15-29(25,26)22-11-13-27-14-12-22/h3-6,18H,2,7-15H2,1H3
InChIKeyRSVPNEXKKYIQJJ-UHFFFAOYSA-N
XLogP1.26
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 46763499
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 3470686
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
(4-ethylpiperazin-1-yl)-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanone
CID 28637058
ethyl 1-[4-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51298052
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate (CID 92671777) is ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is RSVPNEXKKYIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-2-28-20(24)18-7-9-21(10-8-18)19(23)17-5-3-16(4-6-17)15-29(25,26)22-11-13-27-14-12-22/h3-6,18H,2,7-15H2,1H3.
What are the key properties of ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 92671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).