3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C17H26N2O3 — CID 72852523

IUPAC3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(Cc2ncccc2C)C1
InChIInChI=1S/C17H26N2O3/c1-14-6-3-9-18-15(14)12-19-10-4-7-17(13-19,16(20)21)8-5-11-22-2/h3,6,9H,4-5,7-8,10-13H2,1-2H3,(H,20,21)
InChIKeyUPLPOGHXRPBWBQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.48
Rot. Bonds7

About 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 72852523) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID72852523
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(Cc2ncccc2C)C1
InChIInChI=1S/C17H26N2O3/c1-14-6-3-9-18-15(14)12-19-10-4-7-17(13-19,16(20)21)8-5-11-22-2/h3,6,9H,4-5,7-8,10-13H2,1-2H3,(H,20,21)
InChIKeyUPLPOGHXRPBWBQ-UHFFFAOYSA-N
XLogP2.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-methoxypropyl)-1-[(3-methylpyrazin-2-yl)methyl]piperidine-3-carboxylic acid
CID 97132464
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
(3S)-3-(3-methoxypropyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 97132553
(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-(carboxymethyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 70764061
(3R)-3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97126186
3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 72876430
(3R)-3-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylic acid
CID 97115195
(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 97140737
(3S)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97117561
(3R)-3-(2-methoxyethyl)-1-[(4-methoxy-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 97146296

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 72852523) is 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is COCCCC1(C(=O)O)CCCN(Cc2ncccc2C)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is UPLPOGHXRPBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-6-3-9-18-15(14)12-19-10-4-7-17(13-19,16(20)21)8-5-11-22-2/h3,6,9H,4-5,7-8,10-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?
3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72852523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).