3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide

C20H27ClN2O4 — CID 97271666

IUPAC3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
SMILESC[C@@H](O)C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C20H27ClN2O4/c1-13(24)20(26)23-10-8-16(9-11-23)27-18-7-6-14(12-17(18)21)19(25)22-15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyMSBSSYYKTOQTNB-CYBMUJFWSA-N
MW394.90 g/mol
LogP2.76
Rot. Bonds5

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

3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide (PubChem CID 97271666) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
PubChem CID97271666
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
SMILESC[C@@H](O)C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C20H27ClN2O4/c1-13(24)20(26)23-10-8-16(9-11-23)27-18-7-6-14(12-17(18)21)19(25)22-15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyMSBSSYYKTOQTNB-CYBMUJFWSA-N
XLogP2.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 97286367
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]oxybenzamide
CID 72881505
4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
CID 42212911
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-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42114628
3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
CID 42453495
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-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
CID 42304121
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-methylbutanoyl)piperidin-4-yl]oxybenzamide
CID 45219247
3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide (CID 97271666) is 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide is C[C@@H](O)C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide?
The InChIKey is MSBSSYYKTOQTNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-13(24)20(26)23-10-8-16(9-11-23)27-18-7-6-14(12-17(18)21)19(25)22-15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide has a molecular weight of 394.90 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 97271666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).