[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone

C26H35N3O — CID 46043505

IUPAC[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O/c1-2-27-16-18-29(19-17-27)26(30)25-10-8-24(9-11-25)21-28-14-12-23(13-15-28)20-22-6-4-3-5-7-22/h3-11,23H,2,12-21H2,1H3
InChIKeyKOEDSCWCILKYRX-UHFFFAOYSA-N
MW405.59 g/mol
LogP3.92
Rot. Bonds6

About [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone

[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 46043505) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID46043505
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O/c1-2-27-16-18-29(19-17-27)26(30)25-10-8-24(9-11-25)21-28-14-12-23(13-15-28)20-22-6-4-3-5-7-22/h3-11,23H,2,12-21H2,1H3
InChIKeyKOEDSCWCILKYRX-UHFFFAOYSA-N
XLogP3.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787

Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 46043505) is [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is KOEDSCWCILKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-2-27-16-18-29(19-17-27)26(30)25-10-8-24(9-11-25)21-28-14-12-23(13-15-28)20-22-6-4-3-5-7-22/h3-11,23H,2,12-21H2,1H3.
What are the key properties of [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 405.59 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 46043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).