2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

C22H31N3O3 — CID 23724069

IUPAC2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCCc1ccc2oc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c(C)c2c1
InChIInChI=1S/C22H31N3O3/c1-5-6-17-7-8-19-18(13-17)16(4)21(28-19)22(27)25-11-9-24(10-12-25)14-20(26)23-15(2)3/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,23,26)
InChIKeyLLEAAXFZDDIDIU-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 23724069) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID23724069
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCCc1ccc2oc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c(C)c2c1
InChIInChI=1S/C22H31N3O3/c1-5-6-17-7-8-19-18(13-17)16(4)21(28-19)22(27)25-11-9-24(10-12-25)14-20(26)23-15(2)3/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,23,26)
InChIKeyLLEAAXFZDDIDIU-UHFFFAOYSA-N
XLogP2.98
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156804
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293
2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8810643
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157497
[1-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 45205774
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
(3,5-dimethyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 28784356
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
(3,5-dimethyl-1-benzofuran-2-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 23724069) is 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is CCCc1ccc2oc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c(C)c2c1.
What is the InChIKey of 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LLEAAXFZDDIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-6-17-7-8-19-18(13-17)16(4)21(28-19)22(27)25-11-9-24(10-12-25)14-20(26)23-15(2)3/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 385.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 23724069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).