[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone

C23H30N2O2 — CID 110413017

IUPAC[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOCCCN1C(C)CN(C(=O)c2ccc(-c3ccccc3)cc2)CC1C
InChIInChI=1S/C23H30N2O2/c1-18-16-24(17-19(2)25(18)14-7-15-27-3)23(26)22-12-10-21(11-13-22)20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3
InChIKeyMWTNWWTVLNHPEH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds6

About [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone

[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 110413017) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID110413017
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOCCCN1C(C)CN(C(=O)c2ccc(-c3ccccc3)cc2)CC1C
InChIInChI=1S/C23H30N2O2/c1-18-16-24(17-19(2)25(18)14-7-15-27-3)23(26)22-12-10-21(11-13-22)20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3
InChIKeyMWTNWWTVLNHPEH-UHFFFAOYSA-N
XLogP3.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023
[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110290516
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
1-(4-fluorophenyl)-4-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110616550
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110608561
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354446
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone (CID 110413017) is [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone is COCCCN1C(C)CN(C(=O)c2ccc(-c3ccccc3)cc2)CC1C.
What is the InChIKey of [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is MWTNWWTVLNHPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-16-24(17-19(2)25(18)14-7-15-27-3)23(26)22-12-10-21(11-13-22)20-8-5-4-6-9-20/h4-6,8-13,18-19H,7,14-17H2,1-3H3.
What are the key properties of [4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 366.51 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-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 110413017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).