1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid

C23H35N3O3 — CID 143664445

IUPAC1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCCCCCc1nc(N2CCCC(C(=O)O)C2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N3O3/c1-2-3-5-12-20-19(22(27)24-18-10-6-4-7-11-18)13-14-21(25-20)26-15-8-9-17(16-26)23(28)29/h13-14,17-18H,2-12,15-16H2,1H3,(H,24,27)(H,28,29)
InChIKeyOMTSVYAYWCQWLM-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.18
Rot. Bonds8

About 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid

1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 143664445) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID143664445
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCCCCCc1nc(N2CCCC(C(=O)O)C2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N3O3/c1-2-3-5-12-20-19(22(27)24-18-10-6-4-7-11-18)13-14-21(25-20)26-15-8-9-17(16-26)23(28)29/h13-14,17-18H,2-12,15-16H2,1H3,(H,24,27)(H,28,29)
InChIKeyOMTSVYAYWCQWLM-UHFFFAOYSA-N
XLogP4.18
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid (CID 143664445) is 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid is CCCCCc1nc(N2CCCC(C(=O)O)C2)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is OMTSVYAYWCQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-2-3-5-12-20-19(22(27)24-18-10-6-4-7-11-18)13-14-21(25-20)26-15-8-9-17(16-26)23(28)29/h13-14,17-18H,2-12,15-16H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid?
1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 401.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylcarbamoyl)-6-pentyl-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 143664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).