1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid

C15H28N2O2 — CID 117005841

IUPAC1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCCCN1CCCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-2-3-4-8-16-9-5-6-14(12-16)17-10-7-13(11-17)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyJJHGBMSASRXXRR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds6

About 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid

1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117005841) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID117005841
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCCCN1CCCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-2-3-4-8-16-9-5-6-14(12-16)17-10-7-13(11-17)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyJJHGBMSASRXXRR-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
CID 117005840
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid (CID 117005841) is 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid is CCCCCN1CCCC(N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JJHGBMSASRXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-4-8-16-9-5-6-14(12-16)17-10-7-13(11-17)15(18)19/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid?
1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylpiperidin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117005841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).