2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C24H27N3O3 — CID 34010666

IUPAC2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18(2)27(20-9-4-3-5-10-20)23(28)17-25-12-14-26(15-13-25)24(29)22-16-19-8-6-7-11-21(19)30-22/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyWPRZCXQNTWBGRF-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 34010666) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID34010666
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18(2)27(20-9-4-3-5-10-20)23(28)17-25-12-14-26(15-13-25)24(29)22-16-19-8-6-7-11-21(19)30-22/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyWPRZCXQNTWBGRF-UHFFFAOYSA-N
XLogP3.63
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 34014992
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 171914495
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8531578
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 34010666) is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is WPRZCXQNTWBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(2)27(20-9-4-3-5-10-20)23(28)17-25-12-14-26(15-13-25)24(29)22-16-19-8-6-7-11-21(19)30-22/h3-11,16,18H,12-15,17H2,1-2H3.
What are the key properties of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 405.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 34010666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).