2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde

C26H34N4O — CID 87285986

IUPAC2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1
InChIInChI=1S/C26H34N4O/c31-20-30-14-4-3-7-25(30)22-10-8-21(9-11-22)23-12-13-26(27-19-23)29-17-15-28(16-18-29)24-5-1-2-6-24/h8-13,19-20,24-25H,1-7,14-18H2
InChIKeyNWHLEMSDCBZRMI-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde

2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde (PubChem CID 87285986) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde
PubChem CID87285986
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1
InChIInChI=1S/C26H34N4O/c31-20-30-14-4-3-7-25(30)22-10-8-21(9-11-22)23-12-13-26(27-19-23)29-17-15-28(16-18-29)24-5-1-2-6-24/h8-13,19-20,24-25H,1-7,14-18H2
InChIKeyNWHLEMSDCBZRMI-UHFFFAOYSA-N
XLogP4.50
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.50
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

4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
2-[6-(4-pentan-3-ylpiperazin-1-yl)-3-pyridinyl]piperidine-1-carbaldehyde;hydrochloride
CID 87603734
2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539255
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide
CID 68860210
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
CID 68860348
[[4-[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]phenyl]methylideneamino]thiourea
CID 76572603
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
CID 23652974
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 11567045

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde?
The IUPAC name of 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde (CID 87285986) is 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde is O=CN1CCCCC1c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1.
What is the InChIKey of 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde?
The InChIKey is NWHLEMSDCBZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c31-20-30-14-4-3-7-25(30)22-10-8-21(9-11-22)23-12-13-26(27-19-23)29-17-15-28(16-18-29)24-5-1-2-6-24/h8-13,19-20,24-25H,1-7,14-18H2.
What are the key properties of 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde?
2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde has a molecular weight of 418.59 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 87285986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).