N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide

C26H35N3O5 — CID 24547474

IUPACN-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H35N3O5/c1-26(2,3)27-23(30)17-28-11-13-29(14-12-28)25(31)20-15-21(32-4)24(22(16-20)33-5)34-18-19-9-7-6-8-10-19/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,27,30)
InChIKeyXHSVLZYWQWJQEW-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.96
Rot. Bonds8

About N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 24547474) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID24547474
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H35N3O5/c1-26(2,3)27-23(30)17-28-11-13-29(14-12-28)25(31)20-15-21(32-4)24(22(16-20)33-5)34-18-19-9-7-6-8-10-19/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,27,30)
InChIKeyXHSVLZYWQWJQEW-UHFFFAOYSA-N
XLogP2.96
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577
N-(2-ethylphenyl)-2-[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27851838
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide (CID 24547474) is N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is XHSVLZYWQWJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-26(2,3)27-23(30)17-28-11-13-29(14-12-28)25(31)20-15-21(32-4)24(22(16-20)33-5)34-18-19-9-7-6-8-10-19/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 469.58 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).