2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid

C21H24N2O4 — CID 91777421

IUPAC2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
SMILESCOc1ccccc1-c1ccc(C(=O)NC2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-27-19-5-3-2-4-18(19)15-6-8-16(9-7-15)21(26)22-17-10-12-23(13-11-17)14-20(24)25/h2-9,17H,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyXMBNYMRSNFWLMK-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.64
Rot. Bonds6

About 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid

2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid (PubChem CID 91777421) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
PubChem CID91777421
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
SMILESCOc1ccccc1-c1ccc(C(=O)NC2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-27-19-5-3-2-4-18(19)15-6-8-16(9-7-15)21(26)22-17-10-12-23(13-11-17)14-20(24)25/h2-9,17H,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyXMBNYMRSNFWLMK-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
4-(2,3-dichlorophenyl)-N-[1-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidin-4-yl]benzamide
CID 44528882
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
CID 91794683
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 16589746
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid (CID 91777421) is 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid is COc1ccccc1-c1ccc(C(=O)NC2CCN(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid?
The InChIKey is XMBNYMRSNFWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-27-19-5-3-2-4-18(19)15-6-8-16(9-7-15)21(26)22-17-10-12-23(13-11-17)14-20(24)25/h2-9,17H,10-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid?
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 91777421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).