2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide

C21H22Cl2N2O3 — CID 110080510

IUPAC2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-4-2-15(3-5-16)20(27)25-11-1-10-21(13-25,12-19(24)26)14-28-18-8-6-17(23)7-9-18/h2-9H,1,10-14H2,(H2,24,26)
InChIKeyVJVBUFNNYIKGFH-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.17
Rot. Bonds6

About 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide

2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide (PubChem CID 110080510) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
PubChem CID110080510
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-4-2-15(3-5-16)20(27)25-11-1-10-21(13-25,12-19(24)26)14-28-18-8-6-17(23)7-9-18/h2-9H,1,10-14H2,(H2,24,26)
InChIKeyVJVBUFNNYIKGFH-UHFFFAOYSA-N
XLogP4.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 125000182
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080728
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
2-[(3R)-1-(4-chlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125013729
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 125011059
2-[3-[(4-chlorophenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080892
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124963156
2-[(3R)-1-benzoyl-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124946304
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124947959

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide (CID 110080510) is 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide is NC(=O)CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide?
The InChIKey is VJVBUFNNYIKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c22-16-4-2-15(3-5-16)20(27)25-11-1-10-21(13-25,12-19(24)26)14-28-18-8-6-17(23)7-9-18/h2-9H,1,10-14H2,(H2,24,26).
What are the key properties of 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide?
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide has a molecular weight of 421.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110080510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).