(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride

C17H24Cl2N2O3S — CID 119377853

IUPAC(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C17H23ClN2O3S.ClH/c18-13-5-7-15(8-6-13)24(22,23)17(9-1-2-10-17)16(21)20-11-3-4-14(19)12-20;/h5-8,14H,1-4,9-12,19H2;1H
InChIKeyPDUKEWUUYABPLU-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.80
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride (PubChem CID 119377853) has the molecular formula C17H24Cl2N2O3S and a molecular weight of 407.36 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
PubChem CID119377853
Molecular FormulaC17H24Cl2N2O3S
Molecular Weight407.36 g/mol
Exact Mass406.09
IUPAC Name(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C17H23ClN2O3S.ClH/c18-13-5-7-15(8-6-13)24(22,23)17(9-1-2-10-17)16(21)20-11-3-4-14(19)12-20;/h5-8,14H,1-4,9-12,19H2;1H
InChIKeyPDUKEWUUYABPLU-UHFFFAOYSA-N
XLogP2.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 124965144
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
CID 120657499
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 55456430
[1-(4-chlorophenyl)sulfonylcyclopentyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112810518
[1-(4-chlorophenyl)sulfonylcyclopropyl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918279
(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 102978536
1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 119379820

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride (CID 119377853) is (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride?
The InChIKey is PDUKEWUUYABPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S.ClH/c18-13-5-7-15(8-6-13)24(22,23)17(9-1-2-10-17)16(21)20-11-3-4-14(19)12-20;/h5-8,14H,1-4,9-12,19H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride has a molecular weight of 407.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride is sourced from PubChem (CID 119377853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).