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

C21H29N3O4S — CID 89238146

IUPACN-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H29N3O4S/c1-3-19(25)22-21(2)11-15-24(16-12-21)29(27,28)18-9-7-17(8-10-18)20(26)23-13-5-4-6-14-23/h3,7-10H,1,4-6,11-16H2,2H3,(H,22,25)
InChIKeyAOVAFOKGUHQULS-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.16
Rot. Bonds5

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

N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 89238146) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID89238146
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H29N3O4S/c1-3-19(25)22-21(2)11-15-24(16-12-21)29(27,28)18-9-7-17(8-10-18)20(26)23-13-5-4-6-14-23/h3,7-10H,1,4-6,11-16H2,2H3,(H,22,25)
InChIKeyAOVAFOKGUHQULS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
N-methyl-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-phenylethyl)benzamide
CID 89236020
N-[2-(4-methoxyphenyl)ethyl]-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237992
N-methyl-N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89239013
4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 3228866
N-[1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpiperidin-4-yl]prop-2-enamide
CID 89236543
benzyl N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]carbamate
CID 140601029
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 113072709
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 89236326
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89238001
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-3-naphthalen-1-ylpropanamide
CID 89236251

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (CID 89238146) is N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is AOVAFOKGUHQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-19(25)22-21(2)11-15-24(16-12-21)29(27,28)18-9-7-17(8-10-18)20(26)23-13-5-4-6-14-23/h3,7-10H,1,4-6,11-16H2,2H3,(H,22,25).
What are the key properties of N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 419.55 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89238146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).