N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

C22H29N3O3 — CID 20925750

IUPACN-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
SMILESCCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C22H29N3O3/c1-2-11-24-12-14-25(15-13-24)22(27)20-19(17-9-5-6-10-18(17)28-20)23-21(26)16-7-3-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,23,26)
InChIKeyKLBNZHDJJCIDCJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide (PubChem CID 20925750) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
PubChem CID20925750
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
SMILESCCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C22H29N3O3/c1-2-11-24-12-14-25(15-13-24)22(27)20-19(17-9-5-6-10-18(17)28-20)23-21(26)16-7-3-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,23,26)
InChIKeyKLBNZHDJJCIDCJ-UHFFFAOYSA-N
XLogP3.73
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide (CID 20925750) is N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide is CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide?
The InChIKey is KLBNZHDJJCIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-11-24-12-14-25(15-13-24)22(27)20-19(17-9-5-6-10-18(17)28-20)23-21(26)16-7-3-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide?
N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 20925750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).