[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

C28H37N3O3 — CID 55789552

IUPAC[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)C3CCCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)cc1
InChIInChI=1S/C28H37N3O3/c1-4-34-26-9-7-23(8-10-26)19-29-12-14-30(15-13-29)27(32)24-6-5-11-31(20-24)28(33)25-17-21(2)16-22(3)18-25/h7-10,16-18,24H,4-6,11-15,19-20H2,1-3H3
InChIKeyYMTICMQPIXXJHI-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.90
Rot. Bonds6

About [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55789552) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55789552
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)C3CCCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)cc1
InChIInChI=1S/C28H37N3O3/c1-4-34-26-9-7-23(8-10-26)19-29-12-14-30(15-13-29)27(32)24-6-5-11-31(20-24)28(33)25-17-21(2)16-22(3)18-25/h7-10,16-18,24H,4-6,11-15,19-20H2,1-3H3
InChIKeyYMTICMQPIXXJHI-UHFFFAOYSA-N
XLogP3.90
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791589
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952994
[1-(furan-3-carbonyl)piperidin-3-yl]-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 42958268
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55789986
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55460818

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 55789552) is [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is CCOc1ccc(CN2CCN(C(=O)C3CCCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)cc1.
What is the InChIKey of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is YMTICMQPIXXJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-4-34-26-9-7-23(8-10-26)19-29-12-14-30(15-13-29)27(32)24-6-5-11-31(20-24)28(33)25-17-21(2)16-22(3)18-25/h7-10,16-18,24H,4-6,11-15,19-20H2,1-3H3.
What are the key properties of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 463.62 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55789552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).