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

C16H20N2O5 — CID 119349211

IUPAC1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESNC(=O)c1cccc(OCCC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H20N2O5/c17-15(20)12-2-1-3-13(10-12)23-9-6-14(19)18-7-4-11(5-8-18)16(21)22/h1-3,10-11H,4-9H2,(H2,17,20)(H,21,22)
InChIKeyPNJAWWOMLSZKGQ-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.88
Rot. Bonds6

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

1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349211) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID119349211
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESNC(=O)c1cccc(OCCC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H20N2O5/c17-15(20)12-2-1-3-13(10-12)23-9-6-14(19)18-7-4-11(5-8-18)16(21)22/h1-3,10-11H,4-9H2,(H2,17,20)(H,21,22)
InChIKeyPNJAWWOMLSZKGQ-UHFFFAOYSA-N
XLogP0.88
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 43238981
1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119664640
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
3-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 120745161
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
1-[4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55885232
1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236211
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
3-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzamide
CID 96569474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid (CID 119349211) is 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid is NC(=O)c1cccc(OCCC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is PNJAWWOMLSZKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c17-15(20)12-2-1-3-13(10-12)23-9-6-14(19)18-7-4-11(5-8-18)16(21)22/h1-3,10-11H,4-9H2,(H2,17,20)(H,21,22).
What are the key properties of 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 320.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).