N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide

C19H29N3O4 — CID 18163262

IUPACN-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H29N3O4/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-13-15(25-2)6-7-17(16)26-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23)
InChIKeyTUAQCJFCRIGVIX-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.38
Rot. Bonds8

About N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 18163262) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID18163262
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H29N3O4/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-13-15(25-2)6-7-17(16)26-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23)
InChIKeyTUAQCJFCRIGVIX-UHFFFAOYSA-N
XLogP1.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
N-butyl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 18163217
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
N-butyl-2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 18163301
2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide
CID 55372657
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide (CID 18163262) is N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is TUAQCJFCRIGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-13-15(25-2)6-7-17(16)26-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18163262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).