2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid

C17H22N2O6 — CID 20871784

IUPAC2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
SMILESCOC(=O)N1CCC(C(=O)N(CC(=O)O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H22N2O6/c1-24-14-5-3-13(4-6-14)19(11-15(20)21)16(22)12-7-9-18(10-8-12)17(23)25-2/h3-6,12H,7-11H2,1-2H3,(H,20,21)
InChIKeyDNRRRCZNPWVYCJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.59
Rot. Bonds5

About 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid

2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid (PubChem CID 20871784) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
PubChem CID20871784
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
SMILESCOC(=O)N1CCC(C(=O)N(CC(=O)O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H22N2O6/c1-24-14-5-3-13(4-6-14)19(11-15(20)21)16(22)12-7-9-18(10-8-12)17(23)25-2/h3-6,12H,7-11H2,1-2H3,(H,20,21)
InChIKeyDNRRRCZNPWVYCJ-UHFFFAOYSA-N
XLogP1.59
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-(1-oxothiane-4-carbonyl)anilino)acetic acid
CID 22318062
CID 90350135
CID 90350135
N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845751
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134012078
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
CID 28765944
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid (CID 20871784) is 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid is COC(=O)N1CCC(C(=O)N(CC(=O)O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid?
The InChIKey is DNRRRCZNPWVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-24-14-5-3-13(4-6-14)19(11-15(20)21)16(22)12-7-9-18(10-8-12)17(23)25-2/h3-6,12H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid?
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid has a molecular weight of 350.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid is sourced from PubChem (CID 20871784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).