[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone

C19H29N3O2 — CID 97454697

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)[C@]2(C)CCCNC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-24-17-8-5-4-7-16(17)21-11-13-22(14-12-21)18(23)19(2)9-6-10-20-15-19/h4-5,7-8,20H,3,6,9-15H2,1-2H3/t19-/m1/s1
InChIKeyXELAOKBJVMVTSP-LJQANCHMSA-N
MW331.46 g/mol
LogP2.12
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone (PubChem CID 97454697) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
PubChem CID97454697
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)[C@]2(C)CCCNC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-24-17-8-5-4-7-16(17)21-11-13-22(14-12-21)18(23)19(2)9-6-10-20-15-19/h4-5,7-8,20H,3,6,9-15H2,1-2H3/t19-/m1/s1
InChIKeyXELAOKBJVMVTSP-LJQANCHMSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946184
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 39891735
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone (CID 97454697) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone is CCOc1ccccc1N1CCN(C(=O)[C@]2(C)CCCNC2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone?
The InChIKey is XELAOKBJVMVTSP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-24-17-8-5-4-7-16(17)21-11-13-22(14-12-21)18(23)19(2)9-6-10-20-15-19/h4-5,7-8,20H,3,6,9-15H2,1-2H3/t19-/m1/s1.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 97454697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).