1-propanoylpiperidine-3-carboxylic acid

C9H15NO3 — CID 16778057

IUPAC1-propanoylpiperidine-3-carboxylic acid
SMILESCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyOHZLEWCRNCMLGD-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 1-propanoylpiperidine-3-carboxylic acid

1-propanoylpiperidine-3-carboxylic acid (PubChem CID 16778057) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-propanoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-propanoylpiperidine-3-carboxylic acid
PubChem CID16778057
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-propanoylpiperidine-3-carboxylic acid
SMILESCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyOHZLEWCRNCMLGD-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpiperidine-3-carboxylic Acid
CID 2736937
1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
1-Acetyl-3-piperidinecarboxylic acid
CID 14043896
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
1-(Dimethylcarbamoyl)piperidine-3-carboxylic acid
CID 3470698
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
1-Carbamoylpiperidine-3-carboxylic acid
CID 16226767
(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
CID 155289203
2-(1-Methylpiperidin-4-yl)acetic acid
CID 428619
(1-Acetylpiperidin-4-yl)acetic acid
CID 10442408
1-Methylpiperidine-3-carboxylic acid hydrochloride
CID 12514711

Frequently Asked Questions

What is the IUPAC name of 1-propanoylpiperidine-3-carboxylic acid?
The IUPAC name of 1-propanoylpiperidine-3-carboxylic acid (CID 16778057) is 1-propanoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-propanoylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-propanoylpiperidine-3-carboxylic acid is CCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-propanoylpiperidine-3-carboxylic acid?
The InChIKey is OHZLEWCRNCMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-propanoylpiperidine-3-carboxylic acid?
1-propanoylpiperidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 16778057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).