[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone

C25H33N3O — CID 110284786

IUPAC[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O/c1-21-7-5-6-10-24(21)25(29)28-13-11-23(12-14-28)20-27-17-15-26(16-18-27)19-22-8-3-2-4-9-22/h2-10,23H,11-20H2,1H3
InChIKeyWTQWTCHPJJEVKN-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.67
Rot. Bonds5

About [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone

[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 110284786) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID110284786
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O/c1-21-7-5-6-10-24(21)25(29)28-13-11-23(12-14-28)20-27-17-15-26(16-18-27)19-22-8-3-2-4-9-22/h2-10,23H,11-20H2,1H3
InChIKeyWTQWTCHPJJEVKN-UHFFFAOYSA-N
XLogP3.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzylpiperazin-1-yl)-(2-methylphenyl)methanethione
CID 101069895
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 36677795
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone (CID 110284786) is [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is WTQWTCHPJJEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-21-7-5-6-10-24(21)25(29)28-13-11-23(12-14-28)20-27-17-15-26(16-18-27)19-22-8-3-2-4-9-22/h2-10,23H,11-20H2,1H3.
What are the key properties of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone?
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 391.56 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 110284786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).