[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C24H29ClN2O2 — CID 134799690

IUPAC[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C24H29ClN2O2/c1-18-6-7-20(16-23(18)25)22-5-3-2-4-21(22)17-26-10-8-19(9-11-26)24(28)27-12-14-29-15-13-27/h2-7,16,19H,8-15,17H2,1H3
InChIKeyOMAOLBLOISLWIN-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.39
Rot. Bonds4

About [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 134799690) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID134799690
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C24H29ClN2O2/c1-18-6-7-20(16-23(18)25)22-5-3-2-4-21(22)17-26-10-8-19(9-11-26)24(28)27-12-14-29-15-13-27/h2-7,16,19H,8-15,17H2,1H3
InChIKeyOMAOLBLOISLWIN-UHFFFAOYSA-N
XLogP4.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

Cb-813
CID 208688
5-[(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 24791455
9-[(3-Chloro-4-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134805572
Morpholine, 4-(4-(3-chloro-4-(1-methylethyl)phenyl)-1-oxobutyl)-
CID 208676
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134798048
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 134801733
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 134795867
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 134796599
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134798077
[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 134799304
1-[1-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperidine-4-carbonyl]piperidine-4-carbonitrile
CID 134799329
Methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 134799821

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 134799690) is [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2ccccc2CN2CCC(C(=O)N3CCOCC3)CC2)cc1Cl.
What is the InChIKey of [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is OMAOLBLOISLWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-18-6-7-20(16-23(18)25)22-5-3-2-4-21(22)17-26-10-8-19(9-11-26)24(28)27-12-14-29-15-13-27/h2-7,16,19H,8-15,17H2,1H3.
What are the key properties of [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 412.96 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134799690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).