[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C27H35N3O4 — CID 55719269

IUPAC[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(CCc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C27H35N3O4/c1-33-24-18-23(19-25(20-24)34-2)27(32)29-12-9-22(10-13-29)26(31)30-16-14-28(15-17-30)11-8-21-6-4-3-5-7-21/h3-7,18-20,22H,8-17H2,1-2H3
InChIKeySZWSFOHBXBCCOK-UHFFFAOYSA-N
MW465.59 g/mol
LogP2.94
Rot. Bonds7

About [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 55719269) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID55719269
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(CCc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C27H35N3O4/c1-33-24-18-23(19-25(20-24)34-2)27(32)29-12-9-22(10-13-29)26(31)30-16-14-28(15-17-30)11-8-21-6-4-3-5-7-21/h3-7,18-20,22H,8-17H2,1-2H3
InChIKeySZWSFOHBXBCCOK-UHFFFAOYSA-N
XLogP2.94
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30361199
(3-bromo-2,5-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30291282
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
1-[4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55885232
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 55719269) is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(CCc4ccccc4)CC3)CC2)c1.
What is the InChIKey of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is SZWSFOHBXBCCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-33-24-18-23(19-25(20-24)34-2)27(32)29-12-9-22(10-13-29)26(31)30-16-14-28(15-17-30)11-8-21-6-4-3-5-7-21/h3-7,18-20,22H,8-17H2,1-2H3.
What are the key properties of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 465.59 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55719269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).