N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

C23H29N3O5S — CID 42015638

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)C1
InChIInChI=1S/C23H29N3O5S/c1-17-4-2-12-26(16-17)32(29,30)20-8-6-18(7-9-20)22(27)24-19-10-13-25(14-11-19)23(28)21-5-3-15-31-21/h3,5-9,15,17,19H,2,4,10-14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyQJWXDTFFWCPNKM-QGZVFWFLSA-N
MW459.57 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 42015638) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID42015638
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)C1
InChIInChI=1S/C23H29N3O5S/c1-17-4-2-12-26(16-17)32(29,30)20-8-6-18(7-9-20)22(27)24-19-10-13-25(14-11-19)23(28)21-5-3-15-31-21/h3,5-9,15,17,19H,2,4,10-14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyQJWXDTFFWCPNKM-QGZVFWFLSA-N
XLogP2.73
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide
CID 40964085
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (CID 42015638) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)C1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is QJWXDTFFWCPNKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17-4-2-12-26(16-17)32(29,30)20-8-6-18(7-9-20)22(27)24-19-10-13-25(14-11-19)23(28)21-5-3-15-31-21/h3,5-9,15,17,19H,2,4,10-14,16H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 459.57 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 42015638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).