N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide

C26H35N3O4 — CID 33079907

IUPACN-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C26H35N3O4/c1-26(2,3)29(18-20-9-7-6-8-10-20)24(30)19-27-13-15-28(16-14-27)25(31)21-11-12-22(32-4)23(17-21)33-5/h6-12,17H,13-16,18-19H2,1-5H3
InChIKeyORGOVVPSPVOXFK-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide

N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 33079907) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID33079907
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C26H35N3O4/c1-26(2,3)29(18-20-9-7-6-8-10-20)24(30)19-27-13-15-28(16-14-27)25(31)21-11-12-22(32-4)23(17-21)33-5/h6-12,17H,13-16,18-19H2,1-5H3
InChIKeyORGOVVPSPVOXFK-UHFFFAOYSA-N
XLogP3.29
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
CID 54773454
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide (CID 33079907) is N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide is COc1ccc(C(=O)N2CCN(CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)cc1OC.
What is the InChIKey of N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is ORGOVVPSPVOXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-26(2,3)29(18-20-9-7-6-8-10-20)24(30)19-27-13-15-28(16-14-27)25(31)21-11-12-22(32-4)23(17-21)33-5/h6-12,17H,13-16,18-19H2,1-5H3.
What are the key properties of N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide?
N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 453.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 33079907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).