(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C24H29F2N3O3 — CID 93208709

IUPAC(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C24H29F2N3O3/c1-27(16-19-7-4-14-32-19)24(31)22(17-5-2-3-6-17)28-10-12-29(13-11-28)23(30)20-9-8-18(25)15-21(20)26/h4,7-9,14-15,17,22H,2-3,5-6,10-13,16H2,1H3/t22-/m0/s1
InChIKeyMFRINRKTWAFKKH-QFIPXVFZSA-N
MW445.51 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 93208709) has the molecular formula C24H29F2N3O3 and a molecular weight of 445.51 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID93208709
Molecular FormulaC24H29F2N3O3
Molecular Weight445.51 g/mol
Exact Mass445.22
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C24H29F2N3O3/c1-27(16-19-7-4-14-32-19)24(31)22(17-5-2-3-6-17)28-10-12-29(13-11-28)23(30)20-9-8-18(25)15-21(20)26/h4,7-9,14-15,17,22H,2-3,5-6,10-13,16H2,1H3/t22-/m0/s1
InChIKeyMFRINRKTWAFKKH-QFIPXVFZSA-N
XLogP3.53
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42682704
2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024132
(2S)-2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208685
N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42842361
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 93208786
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
2-cyclopentyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 24719892
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 93208709) is (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is MFRINRKTWAFKKH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29F2N3O3/c1-27(16-19-7-4-14-32-19)24(31)22(17-5-2-3-6-17)28-10-12-29(13-11-28)23(30)20-9-8-18(25)15-21(20)26/h4,7-9,14-15,17,22H,2-3,5-6,10-13,16H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 445.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 93208709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).