(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone

C25H38N4O3S — CID 73334070

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H38N4O3S/c30-25(28-17-9-22(10-18-28)26-13-1-2-14-26)21-5-7-24(8-6-21)33(31,32)29-19-11-23(12-20-29)27-15-3-4-16-27/h5-8,22-23H,1-4,9-20H2
InChIKeyMQRCIGKVFFUBDE-UHFFFAOYSA-N
MW474.67 g/mol
LogP2.64
Rot. Bonds5

About (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone

(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 73334070) has the molecular formula C25H38N4O3S and a molecular weight of 474.67 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID73334070
Molecular FormulaC25H38N4O3S
Molecular Weight474.67 g/mol
Exact Mass474.27
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H38N4O3S/c30-25(28-17-9-22(10-18-28)26-13-1-2-14-26)21-5-7-24(8-6-21)33(31,32)29-19-11-23(12-20-29)27-15-3-4-16-27/h5-8,22-23H,1-4,9-20H2
InChIKeyMQRCIGKVFFUBDE-UHFFFAOYSA-N
XLogP2.64
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone (CID 73334070) is (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone is O=C(c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is MQRCIGKVFFUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3S/c30-25(28-17-9-22(10-18-28)26-13-1-2-14-26)21-5-7-24(8-6-21)33(31,32)29-19-11-23(12-20-29)27-15-3-4-16-27/h5-8,22-23H,1-4,9-20H2.
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone?
(4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 474.67 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 73334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).