(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H27ClN2O3S — CID 119561781

IUPAC(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-19-15-10-12-20(13-11-15)18(21)14-6-8-17(9-7-14)24(22,23)16-4-2-3-5-16;/h6-9,15-16,19H,2-5,10-13H2,1H3;1H
InChIKeyANWDPIZHYPERCJ-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.65
Rot. Bonds4

About (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119561781) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119561781
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-19-15-10-12-20(13-11-15)18(21)14-6-8-17(9-7-14)24(22,23)16-4-2-3-5-16;/h6-9,15-16,19H,2-5,10-13H2,1H3;1H
InChIKeyANWDPIZHYPERCJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134764
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(4-cyclopentylsulfonylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637060
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 99805654
4-cycloheptylsulfonylbenzoic acid
CID 82925823
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471706

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119561781) is (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1.Cl.
What is the InChIKey of (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ANWDPIZHYPERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.ClH/c1-19-15-10-12-20(13-11-15)18(21)14-6-8-17(9-7-14)24(22,23)16-4-2-3-5-16;/h6-9,15-16,19H,2-5,10-13H2,1H3;1H.
What are the key properties of (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119561781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).