3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde

C25H32N2O2 — CID 126761519

IUPAC3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
SMILESCc1c(C=O)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(C)C1CCCC1
InChIInChI=1S/C25H32N2O2/c1-19-23(18-28)15-22(16-25(19)26(2)24-5-3-4-6-24)21-9-7-20(8-10-21)17-27-11-13-29-14-12-27/h7-10,15-16,18,24H,3-6,11-14,17H2,1-2H3
InChIKeyZXKAWOHWSGICFV-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.69
Rot. Bonds6

About 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde

3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde (PubChem CID 126761519) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
PubChem CID126761519
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
SMILESCc1c(C=O)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(C)C1CCCC1
InChIInChI=1S/C25H32N2O2/c1-19-23(18-28)15-22(16-25(19)26(2)24-5-3-4-6-24)21-9-7-20(8-10-21)17-27-11-13-29-14-12-27/h7-10,15-16,18,24H,3-6,11-14,17H2,1-2H3
InChIKeyZXKAWOHWSGICFV-UHFFFAOYSA-N
XLogP4.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.69
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

3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
3,5-dimethyl-6-[3-[2-methyl-3-[methyl(piperidin-4-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3-oxopropyl]cyclohexa-2,4-dien-1-one
CID 146899859
bis(2-[3-[3-[(4-aminocyclohexyl)-methylamino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one);2-[3-[3-[cyclopentyl(ethyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;bis(3,5-dimethyl-2-[3-[2-methyl-3-[methyl-[4-(2-oxopropyl)cyclohexyl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3-oxopropyl]cyclohexa-2,4-dien-1-one)
CID 160654423
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline
CID 142367265
tert-butyl-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N,2-dimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]anilino]cyclohexyl]carbamic acid
CID 70872404
3-[(4-aminocyclohexyl)-methylamino]-5-[6-[(dimethylamino)methyl]-3-pyridinyl]-2-methylbenzaldehyde
CID 126761583
[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
CID 174664478
N-[2-(butan-2-ylcarbamoyl)butyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 166778017
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde (CID 126761519) is 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde is Cc1c(C=O)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The InChIKey is ZXKAWOHWSGICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-19-23(18-28)15-22(16-25(19)26(2)24-5-3-4-6-24)21-9-7-20(8-10-21)17-27-11-13-29-14-12-27/h7-10,15-16,18,24H,3-6,11-14,17H2,1-2H3.
What are the key properties of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde has a molecular weight of 392.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde is sourced from PubChem (CID 126761519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).