1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid

C17H21NO4 — CID 119167329

IUPAC1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H21NO4/c19-16(18-9-1-2-14(10-18)17(20)21)13-5-7-15(8-6-13)22-11-12-3-4-12/h5-8,12,14H,1-4,9-11H2,(H,20,21)
InChIKeyYGTSVKBCQUENGM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid

1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid (PubChem CID 119167329) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
PubChem CID119167329
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H21NO4/c19-16(18-9-1-2-14(10-18)17(20)21)13-5-7-15(8-6-13)22-11-12-3-4-12/h5-8,12,14H,1-4,9-11H2,(H,20,21)
InChIKeyYGTSVKBCQUENGM-UHFFFAOYSA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683
[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3S,4S)-1-[4-(cyclopropylmethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952218
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 53150030
[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343180

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid (CID 119167329) is 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is YGTSVKBCQUENGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16(18-9-1-2-14(10-18)17(20)21)13-5-7-15(8-6-13)22-11-12-3-4-12/h5-8,12,14H,1-4,9-11H2,(H,20,21).
What are the key properties of 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid?
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).