1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C20H24N2O6 — CID 119235627

IUPAC1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)=C2
InChIInChI=1S/C20H24N2O6/c1-21(11-17(23)22-8-6-13(7-9-22)20(25)26)19(24)15-10-14-4-3-5-16(27-2)18(14)28-12-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,25,26)
InChIKeyPARZFDWOUJZPMN-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.25
Rot. Bonds5

About 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235627) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235627
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)=C2
InChIInChI=1S/C20H24N2O6/c1-21(11-17(23)22-8-6-13(7-9-22)20(25)26)19(24)15-10-14-4-3-5-16(27-2)18(14)28-12-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,25,26)
InChIKeyPARZFDWOUJZPMN-UHFFFAOYSA-N
XLogP1.25
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235976
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153
3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 126772864
1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
CID 55712756
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone
CID 120658310
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119235627) is 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is COc1cccc2c1OCC(C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)=C2.
What is the InChIKey of 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is PARZFDWOUJZPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-21(11-17(23)22-8-6-13(7-9-22)20(25)26)19(24)15-10-14-4-3-5-16(27-2)18(14)28-12-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).