1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid

C11H19FN2O4 — CID 114284609

IUPAC1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)NCCCF)CC1
InChIInChI=1S/C11H19FN2O4/c1-18-11(9(15)16)3-7-14(8-4-11)10(17)13-6-2-5-12/h2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyHYZHRBDFBLEIAP-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.62
Rot. Bonds5

About 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid

1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid (PubChem CID 114284609) has the molecular formula C11H19FN2O4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
PubChem CID114284609
Molecular FormulaC11H19FN2O4
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC Name1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)NCCCF)CC1
InChIInChI=1S/C11H19FN2O4/c1-18-11(9(15)16)3-7-14(8-4-11)10(17)13-6-2-5-12/h2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyHYZHRBDFBLEIAP-UHFFFAOYSA-N
XLogP0.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840300
(2S)-2-hydroxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840301
1-(2,2-Difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
CID 114284603
4-Methoxy-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 146121214
4-Hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 90059363
Methyl 4-hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 90059364
Methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
4-Hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 90067068
2-Hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
3-[(4-Ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
2-Hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66173236
Ethyl 4-hydroxy-1-(3-methoxypropylcarbamoyl)piperidine-4-carboxylate
CID 72107041

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid (CID 114284609) is 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid is COC1(C(=O)O)CCN(C(=O)NCCCF)CC1.
What is the InChIKey of 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The InChIKey is HYZHRBDFBLEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4/c1-18-11(9(15)16)3-7-14(8-4-11)10(17)13-6-2-5-12/h2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 114284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).