(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone

C24H34N4O3 — CID 96503149

IUPAC(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone
SMILESCCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@H]1C
InChIInChI=1S/C24H34N4O3/c1-4-26-12-11-25-23(26)17-27-13-14-28(16-18(27)2)24(29)19-9-10-21(22(15-19)30-3)31-20-7-5-6-8-20/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3/t18-/m1/s1
InChIKeyUWOJLEBKPKSBKO-GOSISDBHSA-N
MW426.56 g/mol
LogP3.58
Rot. Bonds7

About (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone

(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone (PubChem CID 96503149) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone
PubChem CID96503149
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone
SMILESCCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@H]1C
InChIInChI=1S/C24H34N4O3/c1-4-26-12-11-25-23(26)17-27-13-14-28(16-18(27)2)24(29)19-9-10-21(22(15-19)30-3)31-20-7-5-6-8-20/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3/t18-/m1/s1
InChIKeyUWOJLEBKPKSBKO-GOSISDBHSA-N
XLogP3.58
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79726610
(3S,4S)-1-(4-cyclopentyloxy-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953526
(4-cyclopentyloxy-3-methoxyphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 112835119
[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42462257
(4-cyclopentyloxy-3-methoxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535689
1-[4-[5-(3,4-dimethylpiperazine-1-carbonyl)-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 24819154
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
(4-cyclopentyloxy-3-methoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55979698
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[4-(2-aminoethoxy)-3-methoxyphenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 118768638

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone (CID 96503149) is (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone is CCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@H]1C.
What is the InChIKey of (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone?
The InChIKey is UWOJLEBKPKSBKO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-4-26-12-11-25-23(26)17-27-13-14-28(16-18(27)2)24(29)19-9-10-21(22(15-19)30-3)31-20-7-5-6-8-20/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone?
(4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxy-3-methoxyphenyl)-[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 96503149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).