4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H30N2O3 — CID 122023316

IUPAC4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1(C)CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C17H30N2O3/c1-3-9-17(2)10-4-11-19(12-17)16(22)18-14-7-5-13(6-8-14)15(20)21/h13-14H,3-12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPTTDOCNMAOQUBT-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.24
Rot. Bonds4

About 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122023316) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122023316
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1(C)CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C17H30N2O3/c1-3-9-17(2)10-4-11-19(12-17)16(22)18-14-7-5-13(6-8-14)15(20)21/h13-14H,3-12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPTTDOCNMAOQUBT-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122023316) is 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCC1(C)CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PTTDOCNMAOQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-9-17(2)10-4-11-19(12-17)16(22)18-14-7-5-13(6-8-14)15(20)21/h13-14H,3-12H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).