N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide

C21H29N3O4S — CID 89238873

IUPACN-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1C
InChIInChI=1S/C21H29N3O4S/c1-3-20(25)22-19-10-13-24(15-16(19)2)29(27,28)18-9-7-8-17(14-18)21(26)23-11-5-4-6-12-23/h3,7-9,14,16,19H,1,4-6,10-13,15H2,2H3,(H,22,25)
InChIKeyUWVGHWZPGGXVMD-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.01
Rot. Bonds5

About N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide

N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 89238873) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID89238873
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1C
InChIInChI=1S/C21H29N3O4S/c1-3-20(25)22-19-10-13-24(15-16(19)2)29(27,28)18-9-7-8-17(14-18)21(26)23-11-5-4-6-12-23/h3,7-9,14,16,19H,1,4-6,10-13,15H2,2H3,(H,22,25)
InChIKeyUWVGHWZPGGXVMD-UHFFFAOYSA-N
XLogP2.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidin-4-yl]prop-2-enamide
CID 89238392
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89238356
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237208
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
N-[3,5-dimethyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238638
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (CID 89238873) is N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1C.
What is the InChIKey of N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is UWVGHWZPGGXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-20(25)22-19-10-13-24(15-16(19)2)29(27,28)18-9-7-8-17(14-18)21(26)23-11-5-4-6-12-23/h3,7-9,14,16,19H,1,4-6,10-13,15H2,2H3,(H,22,25).
What are the key properties of N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 419.55 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89238873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).