N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

C19H26N4O4S — CID 52938046

IUPACN-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-2-18(24)20-16-6-8-17(9-7-16)28(26,27)23-14-12-22(13-15-23)19(25)21-10-4-3-5-11-21/h2,6-9H,1,3-5,10-15H2,(H,20,24)
InChIKeyKVXYMLDQLRULQZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.72
Rot. Bonds4

About N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 52938046) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID52938046
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-2-18(24)20-16-6-8-17(9-7-16)28(26,27)23-14-12-22(13-15-23)19(25)21-10-4-3-5-11-21/h2,6-9H,1,3-5,10-15H2,(H,20,24)
InChIKeyKVXYMLDQLRULQZ-UHFFFAOYSA-N
XLogP1.72
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 52938046) is N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is KVXYMLDQLRULQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-2-18(24)20-16-6-8-17(9-7-16)28(26,27)23-14-12-22(13-15-23)19(25)21-10-4-3-5-11-21/h2,6-9H,1,3-5,10-15H2,(H,20,24).
What are the key properties of N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 406.51 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(piperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 52938046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).