cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone

C24H27N3O2 — CID 138654789

IUPACcyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone
SMILESC=Nc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cnc1/C=C\C
InChIInChI=1S/C24H27N3O2/c1-3-4-22-23(25-2)15-19(16-26-22)17-7-9-20(10-8-17)29-21-11-13-27(14-12-21)24(28)18-5-6-18/h3-4,7-10,15-16,18,21H,2,5-6,11-14H2,1H3/b4-3-
InChIKeySXXZCSUMRTXJOB-ARJAWSKDSA-N
MW389.50 g/mol
LogP4.89
Rot. Bonds6

About cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone (PubChem CID 138654789) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone
PubChem CID138654789
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Namecyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone
SMILESC=Nc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cnc1/C=C\C
InChIInChI=1S/C24H27N3O2/c1-3-4-22-23(25-2)15-19(16-26-22)17-7-9-20(10-8-17)29-21-11-13-27(14-12-21)24(28)18-5-6-18/h3-4,7-10,15-16,18,21H,2,5-6,11-14H2,1H3/b4-3-
InChIKeySXXZCSUMRTXJOB-ARJAWSKDSA-N
XLogP4.89
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tirbanibulin
CID 23635314
11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
1-[6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl]-2-piperidinone
CID 10045991
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
CID 162665446
CID 162665446
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone (CID 138654789) is cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone is C=Nc1cc(-c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cnc1/C=C\C.
What is the InChIKey of cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone?
The InChIKey is SXXZCSUMRTXJOB-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-4-22-23(25-2)15-19(16-26-22)17-7-9-20(10-8-17)29-21-11-13-27(14-12-21)24(28)18-5-6-18/h3-4,7-10,15-16,18,21H,2,5-6,11-14H2,1H3/b4-3-.
What are the key properties of cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[5-(methylideneamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 138654789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).