6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

C23H29N3O3 — CID 118301996

IUPAC6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C23H29N3O3/c1-29-16-23(15-24-20-14-18(20)17-6-3-2-4-7-17)10-12-26(13-11-23)21-9-5-8-19(25-21)22(27)28/h2-9,18,20,24H,10-16H2,1H3,(H,27,28)/t18?,20-/m1/s1
InChIKeyFGMXCIRHYAJGFL-ROPPNANJSA-N
MW395.50 g/mol
LogP3.16
Rot. Bonds8

About 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 118301996) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID118301996
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C23H29N3O3/c1-29-16-23(15-24-20-14-18(20)17-6-3-2-4-7-17)10-12-26(13-11-23)21-9-5-8-19(25-21)22(27)28/h2-9,18,20,24H,10-16H2,1H3,(H,27,28)/t18?,20-/m1/s1
InChIKeyFGMXCIRHYAJGFL-ROPPNANJSA-N
XLogP3.16
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 118301996) is 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FGMXCIRHYAJGFL-ROPPNANJSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-16-23(15-24-20-14-18(20)17-6-3-2-4-7-17)10-12-26(13-11-23)21-9-5-8-19(25-21)22(27)28/h2-9,18,20,24H,10-16H2,1H3,(H,27,28)/t18?,20-/m1/s1.
What are the key properties of 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 395.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118301996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).