[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C24H33N3O3 — CID 91625393

IUPAC[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)OCCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-18-17-29-22-10-9-21(19-25-22)23(28)27-15-13-26(14-16-27)12-11-20-7-5-4-6-8-20/h4-10,19H,11-18H2,1-3H3
InChIKeyYUWZJSMYKKDGJY-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.28
Rot. Bonds8

About [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 91625393) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID91625393
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)OCCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-18-17-29-22-10-9-21(19-25-22)23(28)27-15-13-26(14-16-27)12-11-20-7-5-4-6-8-20/h4-10,19H,11-18H2,1-3H3
InChIKeyYUWZJSMYKKDGJY-UHFFFAOYSA-N
XLogP3.28
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
CID 48851794
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95342710
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
(6-amino-3-pyridinyl)-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]methanone
CID 140876648

Frequently Asked Questions

What is the IUPAC name of [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 91625393) is [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is CC(C)(C)OCCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is YUWZJSMYKKDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-24(2,3)30-18-17-29-22-10-9-21(19-25-22)23(28)27-15-13-26(14-16-27)12-11-20-7-5-4-6-8-20/h4-10,19H,11-18H2,1-3H3.
What are the key properties of [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 411.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91625393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).