1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid

C19H28N2O5 — CID 122074199

IUPAC1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1OCCC
InChIInChI=1S/C19H28N2O5/c1-3-11-25-16-6-5-15(13-17(16)26-12-4-2)20-19(24)21-9-7-14(8-10-21)18(22)23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyRKJBCKNAIWFOMJ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.59
Rot. Bonds8

About 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122074199) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122074199
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1OCCC
InChIInChI=1S/C19H28N2O5/c1-3-11-25-16-6-5-15(13-17(16)26-12-4-2)20-19(24)21-9-7-14(8-10-21)18(22)23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyRKJBCKNAIWFOMJ-UHFFFAOYSA-N
XLogP3.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25163200
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122074199) is 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid is CCCOc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1OCCC.
What is the InChIKey of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is RKJBCKNAIWFOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-3-11-25-16-6-5-15(13-17(16)26-12-4-2)20-19(24)21-9-7-14(8-10-21)18(22)23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122074199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).