(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

C21H27N3O3S — CID 5307931

IUPAC(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1
InChIInChI=1S/C21H27N3O3S/c1-16-5-4-12-23(15-16)21(25)18-9-13-24(14-10-18)28(26,27)19-8-2-6-17-7-3-11-22-20(17)19/h2-3,6-8,11,16,18H,4-5,9-10,12-15H2,1H3
InChIKeyDHPGZBYSQINRCS-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.89
Rot. Bonds3

About (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 5307931) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
PubChem CID5307931
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1
InChIInChI=1S/C21H27N3O3S/c1-16-5-4-12-23(15-16)21(25)18-9-13-24(14-10-18)28(26,27)19-8-2-6-17-7-3-11-22-20(17)19/h2-3,6-8,11,16,18H,4-5,9-10,12-15H2,1H3
InChIKeyDHPGZBYSQINRCS-UHFFFAOYSA-N
XLogP2.89
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (CID 5307931) is (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DHPGZBYSQINRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-5-4-12-23(15-16)21(25)18-9-13-24(14-10-18)28(26,27)19-8-2-6-17-7-3-11-22-20(17)19/h2-3,6-8,11,16,18H,4-5,9-10,12-15H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
(3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 401.53 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 5307931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).