1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid

C17H24N2O4 — CID 122091780

IUPAC1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OC(C)C
InChIInChI=1S/C17H24N2O4/c1-11(2)23-15-9-14(7-6-12(15)3)18-17(22)19-8-4-5-13(10-19)16(20)21/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyDNLQGLQCOQHUKL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.11
Rot. Bonds4

About 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122091780) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122091780
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OC(C)C
InChIInChI=1S/C17H24N2O4/c1-11(2)23-15-9-14(7-6-12(15)3)18-17(22)19-8-4-5-13(10-19)16(20)21/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyDNLQGLQCOQHUKL-UHFFFAOYSA-N
XLogP3.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122091780) is 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OC(C)C.
What is the InChIKey of 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DNLQGLQCOQHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)23-15-9-14(7-6-12(15)3)18-17(22)19-8-4-5-13(10-19)16(20)21/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122091780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).