N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide

C19H29N3O5 — CID 18156802

IUPACN-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H29N3O5/c1-13(2)20-17(23)12-21-6-8-22(9-7-21)19(24)14-10-15(25-3)18(27-5)16(11-14)26-4/h10-11,13H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyKQTWNIMCAYJDAV-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.99
Rot. Bonds7

About N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 18156802) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID18156802
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC NameN-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H29N3O5/c1-13(2)20-17(23)12-21-6-8-22(9-7-21)19(24)14-10-15(25-3)18(27-5)16(11-14)26-4/h10-11,13H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyKQTWNIMCAYJDAV-UHFFFAOYSA-N
XLogP0.99
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
(4-prop-2-enyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 95750013
2-ethyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108544146
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519631
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide (CID 18156802) is N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is KQTWNIMCAYJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-13(2)20-17(23)12-21-6-8-22(9-7-21)19(24)14-10-15(25-3)18(27-5)16(11-14)26-4/h10-11,13H,6-9,12H2,1-5H3,(H,20,23).
What are the key properties of N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18156802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).