4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide

C22H30ClN3O4 — CID 42212911

IUPAC4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
SMILESCC(=O)NCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C22H30ClN3O4/c1-15(27)24-11-8-21(28)26-12-9-18(10-13-26)30-20-7-6-16(14-19(20)23)22(29)25-17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13H2,1H3,(H,24,27)(H,25,29)
InChIKeyCICOBIXKGNVGKX-UHFFFAOYSA-N
MW435.95 g/mol
LogP2.91
Rot. Bonds7

About 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide

4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide (PubChem CID 42212911) has the molecular formula C22H30ClN3O4 and a molecular weight of 435.95 g/mol. Its IUPAC name is 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
PubChem CID42212911
Molecular FormulaC22H30ClN3O4
Molecular Weight435.95 g/mol
Exact Mass435.19
IUPAC Name4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
SMILESCC(=O)NCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C22H30ClN3O4/c1-15(27)24-11-8-21(28)26-12-9-18(10-13-26)30-20-7-6-16(14-19(20)23)22(29)25-17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13H2,1H3,(H,24,27)(H,25,29)
InChIKeyCICOBIXKGNVGKX-UHFFFAOYSA-N
XLogP2.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25295558
3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42114628
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-(3-methylbut-2-enoyl)piperidin-4-yl]oxybenzamide
CID 42565360
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
3-chloro-4-(1-cycloheptylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26407252
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26406628
3-chloro-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 97286367

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide?
The IUPAC name of 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide (CID 42212911) is 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide?
The canonical SMILES for 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide is CC(=O)NCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1.
What is the InChIKey of 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide?
The InChIKey is CICOBIXKGNVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O4/c1-15(27)24-11-8-21(28)26-12-9-18(10-13-26)30-20-7-6-16(14-19(20)23)22(29)25-17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13H2,1H3,(H,24,27)(H,25,29).
What are the key properties of 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide?
4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide has a molecular weight of 435.95 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide is sourced from PubChem (CID 42212911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).