1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate

C17H24N2O5S — CID 71852107

IUPAC1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate
SMILESCC(CNS(C)(=O)=O)OC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O5S/c1-13(11-18-25(2,22)23)24-17(21)15-9-6-10-19(12-15)16(20)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3
InChIKeyGFNBAKOUBWUWRQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.02
Rot. Bonds6

About 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate

1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate (PubChem CID 71852107) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate
PubChem CID71852107
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate
SMILESCC(CNS(C)(=O)=O)OC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O5S/c1-13(11-18-25(2,22)23)24-17(21)15-9-6-10-19(12-15)16(20)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3
InChIKeyGFNBAKOUBWUWRQ-UHFFFAOYSA-N
XLogP1.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 119198387
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660862
1-O-tert-butyl 3-O-(1-oxo-1-phenylpropan-2-yl) piperidine-1,3-dicarboxylate
CID 55443327
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741

Frequently Asked Questions

What is the IUPAC name of 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate?
The IUPAC name of 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate (CID 71852107) is 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate.
What is the SMILES notation for 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate?
The canonical SMILES for 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate is CC(CNS(C)(=O)=O)OC(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate?
The InChIKey is GFNBAKOUBWUWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13(11-18-25(2,22)23)24-17(21)15-9-6-10-19(12-15)16(20)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3.
What are the key properties of 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate?
1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate is sourced from PubChem (CID 71852107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).