2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid

C22H32N2O4 — CID 74576810

IUPAC2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)O)C(CCN3CCCCC3)C2)cc1
InChIInChI=1S/C22H32N2O4/c1-28-20-7-5-17(6-8-20)22(27)24-14-10-18(15-21(25)26)19(16-24)9-13-23-11-3-2-4-12-23/h5-8,18-19H,2-4,9-16H2,1H3,(H,25,26)
InChIKeyQKSVKXJRKNFMPN-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.12
Rot. Bonds7

About 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid

2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid (PubChem CID 74576810) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid
PubChem CID74576810
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)O)C(CCN3CCCCC3)C2)cc1
InChIInChI=1S/C22H32N2O4/c1-28-20-7-5-17(6-8-20)22(27)24-14-10-18(15-21(25)26)19(16-24)9-13-23-11-3-2-4-12-23/h5-8,18-19H,2-4,9-16H2,1H3,(H,25,26)
InChIKeyQKSVKXJRKNFMPN-UHFFFAOYSA-N
XLogP3.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4S)-3-[2-(diethylamino)ethyl]-1-(4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 163063461
2-[(3R,4S)-3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetic acid
CID 25313142
2-[3-(1H-benzimidazol-2-ylmethyl)-1-(4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 162799605
2-[(3S,4S)-3-[2-(4-acetyl-1,4-diazepan-1-yl)ethyl]-1-(thiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 162966155
2-[1-benzoyl-3-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl]acetic acid
CID 74576720
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-[3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 74576902
2-[(3R,4S)-3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 28959865
[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 52985386
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
CID 25313090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid (CID 74576810) is 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid is COc1ccc(C(=O)N2CCC(CC(=O)O)C(CCN3CCCCC3)C2)cc1.
What is the InChIKey of 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid?
The InChIKey is QKSVKXJRKNFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-28-20-7-5-17(6-8-20)22(27)24-14-10-18(15-21(25)26)19(16-24)9-13-23-11-3-2-4-12-23/h5-8,18-19H,2-4,9-16H2,1H3,(H,25,26).
What are the key properties of 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid?
2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid has a molecular weight of 388.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybenzoyl)-3-(2-piperidin-1-ylethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 74576810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).