[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone

C24H31N3O — CID 110284785

IUPAC[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O/c28-24(23-9-5-2-6-10-23)27-13-11-22(12-14-27)20-26-17-15-25(16-18-26)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2
InChIKeyICIRXIFEXOMTDG-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.36
Rot. Bonds5

About [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone

[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 110284785) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
PubChem CID110284785
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O/c28-24(23-9-5-2-6-10-23)27-13-11-22(12-14-27)20-26-17-15-25(16-18-26)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2
InChIKeyICIRXIFEXOMTDG-UHFFFAOYSA-N
XLogP3.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 110284786
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone (CID 110284785) is [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(CN2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is ICIRXIFEXOMTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(23-9-5-2-6-10-23)27-13-11-22(12-14-27)20-26-17-15-25(16-18-26)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2.
What are the key properties of [4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone?
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 377.53 g/mol, XLogP of 3.36, 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]-phenylmethanone is sourced from PubChem (CID 110284785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).