(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid

C16H24N2O3 — CID 97140737

IUPAC(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCOCCC[C@]1(C(=O)O)CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C16H24N2O3/c1-13-11-14(5-8-17-13)18-9-3-6-16(12-18,15(19)20)7-4-10-21-2/h5,8,11H,3-4,6-7,9-10,12H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyHXEHIKILGUELLH-MRXNPFEDSA-N
MW292.38 g/mol
LogP2.49
Rot. Bonds6

About (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid

(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 97140737) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID97140737
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCOCCC[C@]1(C(=O)O)CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C16H24N2O3/c1-13-11-14(5-8-17-13)18-9-3-6-16(12-18,15(19)20)7-4-10-21-2/h5,8,11H,3-4,6-7,9-10,12H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyHXEHIKILGUELLH-MRXNPFEDSA-N
XLogP2.49
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.49
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

1-(6-cyclopropylpyrimidin-4-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72895539
(3R)-3-(3-methoxypropyl)-1-[(3-methylpyrazin-2-yl)methyl]piperidine-3-carboxylic acid
CID 97132464
3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 72852523
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
CID 72847821
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
(3S)-3-(3-methoxypropyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 97132553
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
(3S)-3-(3-methoxypropyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 97157036
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136435
3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
CID 86283726

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid (CID 97140737) is (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid is COCCC[C@]1(C(=O)O)CCCN(c2ccnc(C)c2)C1.
What is the InChIKey of (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is HXEHIKILGUELLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-11-14(5-8-17-13)18-9-3-6-16(12-18,15(19)20)7-4-10-21-2/h5,8,11H,3-4,6-7,9-10,12H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97140737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).