N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C17H25N3O5S — CID 30711489

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C17H25N3O5S/c1-26(23,24)20-9-2-13(3-10-20)16(21)18-15-4-7-19(8-5-15)17(22)14-6-11-25-12-14/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21)
InChIKeySAFOBCOJBWEUDW-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.67
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 30711489) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID30711489
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C17H25N3O5S/c1-26(23,24)20-9-2-13(3-10-20)16(21)18-15-4-7-19(8-5-15)17(22)14-6-11-25-12-14/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21)
InChIKeySAFOBCOJBWEUDW-UHFFFAOYSA-N
XLogP0.67
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
N-(2,3-dimethylcyclohexyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134060586
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 30711489) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SAFOBCOJBWEUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-26(23,24)20-9-2-13(3-10-20)16(21)18-15-4-7-19(8-5-15)17(22)14-6-11-25-12-14/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30711489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).