1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid

C19H28N2O4 — CID 122004761

IUPAC1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1C(CC(C)C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-16(15-6-4-5-7-17(15)25-3)20-19(24)21-10-8-14(9-11-21)18(22)23/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyOIPGLOHHACLUBU-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.29
Rot. Bonds6

About 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122004761) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122004761
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1C(CC(C)C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-16(15-6-4-5-7-17(15)25-3)20-19(24)21-10-8-14(9-11-21)18(22)23/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyOIPGLOHHACLUBU-UHFFFAOYSA-N
XLogP3.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-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

1-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001930
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
1-[[3,3,3-trifluoro-1-(2-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012013
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
1-[(3R)-4-(2-methoxyphenyl)-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 129414877
1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122008715
1-[1-(2-nitrophenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122009042
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid (CID 122004761) is 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid is COc1ccccc1C(CC(C)C)NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OIPGLOHHACLUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)12-16(15-6-4-5-7-17(15)25-3)20-19(24)21-10-8-14(9-11-21)18(22)23/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 348.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122004761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).