[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone

C17H25N3O — CID 18073007

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCCN3)CC2)c1
InChIInChI=1S/C17H25N3O/c1-14-5-4-6-15(13-14)19-9-11-20(12-10-19)17(21)16-7-2-3-8-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3
InChIKeyDIRZMJAKLIGVMC-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.79
Rot. Bonds2

About [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone

[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (PubChem CID 18073007) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
PubChem CID18073007
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCCN3)CC2)c1
InChIInChI=1S/C17H25N3O/c1-14-5-4-6-15(13-14)19-9-11-20(12-10-19)17(21)16-7-2-3-8-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3
InChIKeyDIRZMJAKLIGVMC-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119883024
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (CID 18073007) is [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is Cc1cccc(N2CCN(C(=O)C3CCCCN3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is DIRZMJAKLIGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-5-4-6-15(13-14)19-9-11-20(12-10-19)17(21)16-7-2-3-8-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 18073007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).