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

C16H21ClN2O4 — CID 122090893

IUPAC1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O4/c1-10(2)23-12-3-4-14(13(17)9-12)18-16(22)19-7-5-11(6-8-19)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyBOYRPIUTQNMBJG-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.46
Rot. Bonds4

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

1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122090893) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122090893
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O4/c1-10(2)23-12-3-4-14(13(17)9-12)18-16(22)19-7-5-11(6-8-19)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyBOYRPIUTQNMBJG-UHFFFAOYSA-N
XLogP3.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
(1S,5S)-N-(2-chloro-4-propan-2-yloxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99823742
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122090893) is 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid is CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BOYRPIUTQNMBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10(2)23-12-3-4-14(13(17)9-12)18-16(22)19-7-5-11(6-8-19)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 340.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).