1-(3-propoxybenzoyl)piperidine-2-carboxylic acid

C16H21NO4 — CID 62406215

IUPAC1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
SMILESCCCOc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-2-10-21-13-7-5-6-12(11-13)15(18)17-9-4-3-8-14(17)16(19)20/h5-7,11,14H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyNKVOAIGONKLEDT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid

1-(3-propoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 62406215) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID62406215
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
SMILESCCCOc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-2-10-21-13-7-5-6-12(11-13)15(18)17-9-4-3-8-14(17)16(19)20/h5-7,11,14H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyNKVOAIGONKLEDT-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid (CID 62406215) is 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid is CCCOc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is NKVOAIGONKLEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-10-21-13-7-5-6-12(11-13)15(18)17-9-4-3-8-14(17)16(19)20/h5-7,11,14H,2-4,8-10H2,1H3,(H,19,20).
What are the key properties of 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid?
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 62406215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).