1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid

C16H22N2O5S — CID 120525452

IUPAC1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOCc1ccsc1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H22N2O5S/c1-17(15(20)14-12(10-23-2)5-8-24-14)9-13(19)18-6-3-11(4-7-18)16(21)22/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,21,22)
InChIKeyBZGGPFYBDPILNC-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.29
Rot. Bonds6

About 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120525452) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID120525452
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOCc1ccsc1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H22N2O5S/c1-17(15(20)14-12(10-23-2)5-8-24-14)9-13(19)18-6-3-11(4-7-18)16(21)22/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,21,22)
InChIKeyBZGGPFYBDPILNC-UHFFFAOYSA-N
XLogP1.29
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235656
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721
1-[4,4-bis[3-(methoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-4-carboxylic acid;hydrochloride
CID 45263312
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
1-[2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235762
1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid (CID 120525452) is 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid is COCc1ccsc1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is BZGGPFYBDPILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-17(15(20)14-12(10-23-2)5-8-24-14)9-13(19)18-6-3-11(4-7-18)16(21)22/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120525452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).