piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C16H22N2O3S — CID 799715

IUPACpiperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-10-2-1-3-11-17)14-6-8-15(9-7-14)22(20,21)18-12-4-5-13-18/h6-9H,1-5,10-13H2
InChIKeyHHBBIAYAVMQDCE-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.10
Rot. Bonds3

About piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 799715) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID799715
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Namepiperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-10-2-1-3-11-17)14-6-8-15(9-7-14)22(20,21)18-12-4-5-13-18/h6-9H,1-5,10-13H2
InChIKeyHHBBIAYAVMQDCE-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 3228866
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
[4-(2-hydroxybenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 55646192
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 113072709
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 9228522
[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
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 799715) is piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HHBBIAYAVMQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-10-2-1-3-11-17)14-6-8-15(9-7-14)22(20,21)18-12-4-5-13-18/h6-9H,1-5,10-13H2.
What are the key properties of piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 322.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 799715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).