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

C19H28N2O5 — CID 122074194

IUPAC1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OCCC
InChIInChI=1S/C19H28N2O5/c1-3-10-25-16-8-7-15(12-17(16)26-11-4-2)20-19(24)21-9-5-6-14(13-21)18(22)23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFMUNRUUEJPWNFS-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.59
Rot. Bonds8

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

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122074194) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122074194
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OCCC
InChIInChI=1S/C19H28N2O5/c1-3-10-25-16-8-7-15(12-17(16)26-11-4-2)20-19(24)21-9-5-6-14(13-21)18(22)23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFMUNRUUEJPWNFS-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-4-carboxylic acid
CID 122074199
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122074194) is 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid is CCCOc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1OCCC.
What is the InChIKey of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FMUNRUUEJPWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-3-10-25-16-8-7-15(12-17(16)26-11-4-2)20-19(24)21-9-5-6-14(13-21)18(22)23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 122074194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).