1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid

C17H29NO3 — CID 63138101

IUPAC1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-7-12-18(13-17)15(19)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,20,21)
InChIKeyIXLPEWPHQMUHEJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds4

About 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid

1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63138101) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63138101
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-7-12-18(13-17)15(19)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,20,21)
InChIKeyIXLPEWPHQMUHEJ-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63138101) is 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2CCCCCC2)C1.
What is the InChIKey of 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is IXLPEWPHQMUHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-10-17(16(20)21)11-7-12-18(13-17)15(19)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,20,21).
What are the key properties of 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63138101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).