cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

C27H43N3O2 — CID 42499458

IUPACcyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N(C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)CC1
InChIInChI=1S/C27H43N3O2/c1-28-16-13-25(14-17-28)29(2)19-22-8-6-12-26(18-22)32-21-23-9-7-15-30(20-23)27(31)24-10-4-3-5-11-24/h6,8,12,18,23-25H,3-5,7,9-11,13-17,19-21H2,1-2H3/t23-/m0/s1
InChIKeyGIAUAMXYNKGNRH-QHCPKHFHSA-N
MW441.66 g/mol
LogP4.41
Rot. Bonds7

About cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 42499458) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID42499458
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Namecyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N(C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)CC1
InChIInChI=1S/C27H43N3O2/c1-28-16-13-25(14-17-28)29(2)19-22-8-6-12-26(18-22)32-21-23-9-7-15-30(20-23)27(31)24-10-4-3-5-11-24/h6,8,12,18,23-25H,3-5,7,9-11,13-17,19-21H2,1-2H3/t23-/m0/s1
InChIKeyGIAUAMXYNKGNRH-QHCPKHFHSA-N
XLogP4.41
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]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

(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
CID 45175801
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
N-cyclopropyl-N-[[3-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 42501567
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040637
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 78081505

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (CID 42499458) is cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is CN1CCC(N(C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)CC1.
What is the InChIKey of cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is GIAUAMXYNKGNRH-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-28-16-13-25(14-17-28)29(2)19-22-8-6-12-26(18-22)32-21-23-9-7-15-30(20-23)27(31)24-10-4-3-5-11-24/h6,8,12,18,23-25H,3-5,7,9-11,13-17,19-21H2,1-2H3/t23-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 441.66 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42499458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).