1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid

C17H29NO5 — CID 72855120

IUPAC1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)C2(COC)CCC2)C1
InChIInChI=1S/C17H29NO5/c1-22-11-5-9-16(15(20)21)8-4-10-18(12-16)14(19)17(13-23-2)6-3-7-17/h3-13H2,1-2H3,(H,20,21)
InChIKeyMHFCUPUNPVUOJR-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.92
Rot. Bonds8

About 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid

1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid (PubChem CID 72855120) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
PubChem CID72855120
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)C2(COC)CCC2)C1
InChIInChI=1S/C17H29NO5/c1-22-11-5-9-16(15(20)21)8-4-10-18(12-16)14(19)17(13-23-2)6-3-7-17/h3-13H2,1-2H3,(H,20,21)
InChIKeyMHFCUPUNPVUOJR-UHFFFAOYSA-N
XLogP1.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 97128216
1-(carboxymethyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 70764061
3-(3-methoxypropyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperidine-3-carboxylic acid
CID 72849133
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97120972
3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 72876430
(3R)-3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97126186
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97130199
(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3S)-3-(3-methoxypropyl)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 97137422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid (CID 72855120) is 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid is COCCCC1(C(=O)O)CCCN(C(=O)C2(COC)CCC2)C1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
The InChIKey is MHFCUPUNPVUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-22-11-5-9-16(15(20)21)8-4-10-18(12-16)14(19)17(13-23-2)6-3-7-17/h3-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid?
1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid has a molecular weight of 327.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72855120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).