(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone

C19H27N3O3S — CID 113072709

IUPAC(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3S/c1-2-10-20-13-15-21(16-14-20)19(23)17-6-8-18(9-7-17)26(24,25)22-11-4-3-5-12-22/h2,6-9H,1,3-5,10-16H2
InChIKeyLHYGCYZLQNFDHD-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.80
Rot. Bonds5

About (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone

(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 113072709) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID113072709
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3S/c1-2-10-20-13-15-21(16-14-20)19(23)17-6-8-18(9-7-17)26(24,25)22-11-4-3-5-12-22/h2,6-9H,1,3-5,10-16H2
InChIKeyLHYGCYZLQNFDHD-UHFFFAOYSA-N
XLogP1.80
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 55906455
4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 3228866
[4-(2-hydroxybenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 55646192
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 9228522
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047
N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238146

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 113072709) is (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is LHYGCYZLQNFDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-2-10-20-13-15-21(16-14-20)19(23)17-6-8-18(9-7-17)26(24,25)22-11-4-3-5-12-22/h2,6-9H,1,3-5,10-16H2.
What are the key properties of (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 113072709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).