1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid

C16H22N2O4 — CID 122562043

IUPAC1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(OCCCN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c17-15(19)12-5-7-13(8-6-12)22-11-3-10-18-9-2-1-4-14(18)16(20)21/h5-8,14H,1-4,9-11H2,(H2,17,19)(H,20,21)
InChIKeyXUJNDBXAAMYXTA-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.49
Rot. Bonds7

About 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid

1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid (PubChem CID 122562043) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
PubChem CID122562043
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(OCCCN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c17-15(19)12-5-7-13(8-6-12)22-11-3-10-18-9-2-1-4-14(18)16(20)21/h5-8,14H,1-4,9-11H2,(H2,17,19)(H,20,21)
InChIKeyXUJNDBXAAMYXTA-UHFFFAOYSA-N
XLogP1.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
1-[3-(4-butoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183436
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
CID 67234428
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid (CID 122562043) is 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid is NC(=O)c1ccc(OCCCN2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid?
The InChIKey is XUJNDBXAAMYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c17-15(19)12-5-7-13(8-6-12)22-11-3-10-18-9-2-1-4-14(18)16(20)21/h5-8,14H,1-4,9-11H2,(H2,17,19)(H,20,21).
What are the key properties of 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid?
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122562043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).