1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C19H22N2O5 — CID 119236286

IUPAC1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ccc2oc(C(=O)N(C)CC(=O)N3CCC(C(=O)O)CC3)cc2c1
InChIInChI=1S/C19H22N2O5/c1-12-3-4-15-14(9-12)10-16(26-15)18(23)20(2)11-17(22)21-7-5-13(6-8-21)19(24)25/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyNKUWSTJJGIVZSJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236286) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236286
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ccc2oc(C(=O)N(C)CC(=O)N3CCC(C(=O)O)CC3)cc2c1
InChIInChI=1S/C19H22N2O5/c1-12-3-4-15-14(9-12)10-16(26-15)18(23)20(2)11-17(22)21-7-5-13(6-8-21)19(24)25/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyNKUWSTJJGIVZSJ-UHFFFAOYSA-N
XLogP2.14
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235800
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236501
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119236286) is 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is Cc1ccc2oc(C(=O)N(C)CC(=O)N3CCC(C(=O)O)CC3)cc2c1.
What is the InChIKey of 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is NKUWSTJJGIVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-3-4-15-14(9-12)10-16(26-15)18(23)20(2)11-17(22)21-7-5-13(6-8-21)19(24)25/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).