3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide

C22H33ClN2O2S — CID 42114628

IUPAC3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCSCC[C@H](C)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C22H33ClN2O2S/c1-16(11-14-28-2)25-12-9-19(10-13-25)27-21-8-7-17(15-20(21)23)22(26)24-18-5-3-4-6-18/h7-8,15-16,18-19H,3-6,9-14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyFRXYJVOXSDWSCD-INIZCTEOSA-N
MW425.04 g/mol
LogP5.00
Rot. Bonds8

About 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide

3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 42114628) has the molecular formula C22H33ClN2O2S and a molecular weight of 425.04 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID42114628
Molecular FormulaC22H33ClN2O2S
Molecular Weight425.04 g/mol
Exact Mass424.20
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCSCC[C@H](C)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C22H33ClN2O2S/c1-16(11-14-28-2)25-12-9-19(10-13-25)27-21-8-7-17(15-20(21)23)22(26)24-18-5-3-4-6-18/h7-8,15-16,18-19H,3-6,9-14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyFRXYJVOXSDWSCD-INIZCTEOSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.04
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647
3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25295558
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
CID 97271666
3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
CID 42212911
3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
CID 42304121
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
CID 42453495
3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45216288
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide (CID 42114628) is 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide is CSCC[C@H](C)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is FRXYJVOXSDWSCD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H33ClN2O2S/c1-16(11-14-28-2)25-12-9-19(10-13-25)27-21-8-7-17(15-20(21)23)22(26)24-18-5-3-4-6-18/h7-8,15-16,18-19H,3-6,9-14H2,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 425.04 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42114628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).