(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone

C26H32FN3O3 — CID 124958777

IUPAC(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CCN1C
InChIInChI=1S/C26H32FN3O3/c1-26(11-13-29(14-12-26)24(31)19-7-6-8-20(27)17-19)25(32)30-16-15-28(2)22(18-30)21-9-4-5-10-23(21)33-3/h4-10,17,22H,11-16,18H2,1-3H3/t22-/m1/s1
InChIKeyGIQHIUNGCDFSOU-JOCHJYFZSA-N
MW453.56 g/mol
LogP3.59
Rot. Bonds4

About (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone

(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone (PubChem CID 124958777) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
PubChem CID124958777
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CCN1C
InChIInChI=1S/C26H32FN3O3/c1-26(11-13-29(14-12-26)24(31)19-7-6-8-20(27)17-19)25(32)30-16-15-28(2)22(18-30)21-9-4-5-10-23(21)33-3/h4-10,17,22H,11-16,18H2,1-3H3/t22-/m1/s1
InChIKeyGIQHIUNGCDFSOU-JOCHJYFZSA-N
XLogP3.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124964723
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 124985103
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 124998730

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone (CID 124958777) is (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone is COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CCN1C.
What is the InChIKey of (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone?
The InChIKey is GIQHIUNGCDFSOU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-26(11-13-29(14-12-26)24(31)19-7-6-8-20(27)17-19)25(32)30-16-15-28(2)22(18-30)21-9-4-5-10-23(21)33-3/h4-10,17,22H,11-16,18H2,1-3H3/t22-/m1/s1.
What are the key properties of (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone has a molecular weight of 453.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 124958777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).