ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate

C15H27N3O5S — CID 47765772

IUPACethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H27N3O5S/c1-3-23-14(19)12-6-4-8-17(10-12)15(20)16-13-7-5-9-18(11-13)24(2,21)22/h12-13H,3-11H2,1-2H3,(H,16,20)
InChIKeyVJFNGYIJWOJPBZ-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.40
Rot. Bonds4

About ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate

ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate (PubChem CID 47765772) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
PubChem CID47765772
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nameethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H27N3O5S/c1-3-23-14(19)12-6-4-8-17(10-12)15(20)16-13-7-5-9-18(11-13)24(2,21)22/h12-13H,3-11H2,1-2H3,(H,16,20)
InChIKeyVJFNGYIJWOJPBZ-UHFFFAOYSA-N
XLogP0.40
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate
CID 98786082
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
CID 108915450
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 47766348
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate (CID 47765772) is ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is VJFNGYIJWOJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-3-23-14(19)12-6-4-8-17(10-12)15(20)16-13-7-5-9-18(11-13)24(2,21)22/h12-13H,3-11H2,1-2H3,(H,16,20).
What are the key properties of ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate?
ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 47765772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).