(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide

C24H31N3O4 — CID 93209043

IUPAC(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1
InChIInChI=1S/C24H31N3O4/c1-30-21-11-5-4-10-20(21)24(29)27-14-12-26(13-15-27)22(18-7-2-3-8-18)23(28)25-17-19-9-6-16-31-19/h4-6,9-11,16,18,22H,2-3,7-8,12-15,17H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyALQHGHGZWDJUKW-JOCHJYFZSA-N
MW425.53 g/mol
LogP2.92
Rot. Bonds7

About (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide

(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 93209043) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID93209043
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1
InChIInChI=1S/C24H31N3O4/c1-30-21-11-5-4-10-20(21)24(29)27-14-12-26(13-15-27)22(18-7-2-3-8-18)23(28)25-17-19-9-6-16-31-19/h4-6,9-11,16,18,22H,2-3,7-8,12-15,17H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyALQHGHGZWDJUKW-JOCHJYFZSA-N
XLogP2.92
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide (CID 93209043) is (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide is COc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is ALQHGHGZWDJUKW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-11-5-4-10-20(21)24(29)27-14-12-26(13-15-27)22(18-7-2-3-8-18)23(28)25-17-19-9-6-16-31-19/h4-6,9-11,16,18,22H,2-3,7-8,12-15,17H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide?
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93209043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).