4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

C20H23N3O2 — CID 143978228

IUPAC4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2
InChIKeyDQLXEACOBJJNPF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.60
Rot. Bonds5

About 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (PubChem CID 143978228) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
PubChem CID143978228
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2
InChIKeyDQLXEACOBJJNPF-UHFFFAOYSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole
CID 45377227
1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole
CID 45377231
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917562
(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 45376292
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917583
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917578
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917570
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917586
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24923754
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The IUPAC name of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (CID 143978228) is 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1.
What is the InChIKey of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The InChIKey is DQLXEACOBJJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2.
What are the key properties of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde has a molecular weight of 337.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 143978228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).