[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

C25H32ClN3O — CID 93492100

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H32ClN3O/c1-19-4-3-11-27(17-19)18-21-6-8-22(9-7-21)25(30)29-14-12-28(13-15-29)24-16-23(26)10-5-20(24)2/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3/t19-/m1/s1
InChIKeyUPAZPGGOQFFSMG-LJQANCHMSA-N
MW426.00 g/mol
LogP4.84
Rot. Bonds4

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (PubChem CID 93492100) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
PubChem CID93492100
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C25H32ClN3O/c1-19-4-3-11-27(17-19)18-21-6-8-22(9-7-21)25(30)29-14-12-28(13-15-29)24-16-23(26)10-5-20(24)2/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3/t19-/m1/s1
InChIKeyUPAZPGGOQFFSMG-LJQANCHMSA-N
XLogP4.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92685521
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 93492097
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92672516
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 45012300
7-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 46277185
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (CID 93492100) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is UPAZPGGOQFFSMG-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-19-4-3-11-27(17-19)18-21-6-8-22(9-7-21)25(30)29-14-12-28(13-15-29)24-16-23(26)10-5-20(24)2/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3/t19-/m1/s1.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 426.00 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 93492100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).