N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C20H25N3O3S — CID 3240513

IUPACN-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(22-17-7-1-2-8-17)16-10-13-23(14-11-16)27(25,26)18-9-3-5-15-6-4-12-21-19(15)18/h3-6,9,12,16-17H,1-2,7-8,10-11,13-14H2,(H,22,24)
InChIKeyJDVLIECONSHSRX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.69
Rot. Bonds4

About N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3240513) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID3240513
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(22-17-7-1-2-8-17)16-10-13-23(14-11-16)27(25,26)18-9-3-5-15-6-4-12-21-19(15)18/h3-6,9,12,16-17H,1-2,7-8,10-11,13-14H2,(H,22,24)
InChIKeyJDVLIECONSHSRX-UHFFFAOYSA-N
XLogP2.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 3240513) is N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JDVLIECONSHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-17-7-1-2-8-17)16-10-13-23(14-11-16)27(25,26)18-9-3-5-15-6-4-12-21-19(15)18/h3-6,9,12,16-17H,1-2,7-8,10-11,13-14H2,(H,22,24).
What are the key properties of N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3240513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).