2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C24H32N4O3 — CID 52588754

IUPAC2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H32N4O3/c1-17(2)26-22(29)15-27-8-10-28(11-9-27)24(30)21-12-18(3)23(19(4)13-21)31-16-20-6-5-7-25-14-20/h5-7,12-14,17H,8-11,15-16H2,1-4H3,(H,26,29)
InChIKeyXCROMZPLNZPCJP-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 52588754) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID52588754
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H32N4O3/c1-17(2)26-22(29)15-27-8-10-28(11-9-27)24(30)21-12-18(3)23(19(4)13-21)31-16-20-6-5-7-25-14-20/h5-7,12-14,17H,8-11,15-16H2,1-4H3,(H,26,29)
InChIKeyXCROMZPLNZPCJP-UHFFFAOYSA-N
XLogP2.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzamide
CID 112827508
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620670
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56544612
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 30838266
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 52588754) is 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XCROMZPLNZPCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17(2)26-22(29)15-27-8-10-28(11-9-27)24(30)21-12-18(3)23(19(4)13-21)31-16-20-6-5-7-25-14-20/h5-7,12-14,17H,8-11,15-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 424.55 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 52588754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).