N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide

C20H31N3O3S — CID 46287323

IUPACN-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-2-20(24)21-18-6-8-19(9-7-18)27(25,26)23-14-10-17(11-15-23)16-22-12-4-3-5-13-22/h6-9,17H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyMQRSAYVQGZJTEY-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.92
Rot. Bonds6

About N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide

N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 46287323) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID46287323
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-2-20(24)21-18-6-8-19(9-7-18)27(25,26)23-14-10-17(11-15-23)16-22-12-4-3-5-13-22/h6-9,17H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyMQRSAYVQGZJTEY-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119987555
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]propanamide
CID 1014399
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide (CID 46287323) is N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is MQRSAYVQGZJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-2-20(24)21-18-6-8-19(9-7-18)27(25,26)23-14-10-17(11-15-23)16-22-12-4-3-5-13-22/h6-9,17H,2-5,10-16H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 46287323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).