2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide

C18H20ClN3O3 — CID 31427597

IUPAC2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)NC1CC1
InChIInChI=1S/C18H20ClN3O3/c19-13-1-4-15-12(9-13)10-16(25-15)18(24)22-7-5-21(6-8-22)11-17(23)20-14-2-3-14/h1,4,9-10,14H,2-3,5-8,11H2,(H,20,23)
InChIKeyBMFGMBSZXPLRBS-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 31427597) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID31427597
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)NC1CC1
InChIInChI=1S/C18H20ClN3O3/c19-13-1-4-15-12(9-13)10-16(25-15)18(24)22-7-5-21(6-8-22)11-17(23)20-14-2-3-14/h1,4,9-10,14H,2-3,5-8,11H2,(H,20,23)
InChIKeyBMFGMBSZXPLRBS-UHFFFAOYSA-N
XLogP2.12
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 78810203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 31427597) is 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)NC1CC1.
What is the InChIKey of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is BMFGMBSZXPLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-13-1-4-15-12(9-13)10-16(25-15)18(24)22-7-5-21(6-8-22)11-17(23)20-14-2-3-14/h1,4,9-10,14H,2-3,5-8,11H2,(H,20,23).
What are the key properties of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 361.83 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 31427597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).