[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C25H33N3O4 — CID 45181952

IUPAC[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c(OC)c1OC
InChIInChI=1S/C25H33N3O4/c1-30-22-12-11-21(23(31-2)24(22)32-3)25(29)28-13-7-10-20(18-28)27-16-14-26(15-17-27)19-8-5-4-6-9-19/h4-6,8-9,11-12,20H,7,10,13-18H2,1-3H3
InChIKeyUGUSTDIJCNGEDP-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.14
Rot. Bonds6

About [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 45181952) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID45181952
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c(OC)c1OC
InChIInChI=1S/C25H33N3O4/c1-30-22-12-11-21(23(31-2)24(22)32-3)25(29)28-13-7-10-20(18-28)27-16-14-26(15-17-27)19-8-5-4-6-9-19/h4-6,8-9,11-12,20H,7,10,13-18H2,1-3H3
InChIKeyUGUSTDIJCNGEDP-UHFFFAOYSA-N
XLogP3.14
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone with MolForge

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Related Compounds

(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42532022
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
(2-chlorophenyl)-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42094356
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
methyl 3-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]benzoate
CID 74229736
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 45181952) is [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c(OC)c1OC.
What is the InChIKey of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is UGUSTDIJCNGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-30-22-12-11-21(23(31-2)24(22)32-3)25(29)28-13-7-10-20(18-28)27-16-14-26(15-17-27)19-8-5-4-6-9-19/h4-6,8-9,11-12,20H,7,10,13-18H2,1-3H3.
What are the key properties of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 439.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 45181952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).