(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide

C24H30FN3O2S — CID 93210253

IUPAC(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C24H30FN3O2S/c25-20-8-3-5-18(15-20)17-26-24(30)23(19-6-1-2-7-19)28-12-10-27(11-13-28)22(29)16-21-9-4-14-31-21/h3-5,8-9,14-15,19,23H,1-2,6-7,10-13,16-17H2,(H,26,30)/t23-/m1/s1
InChIKeySVSIEWJIDCZRDL-HSZRJFAPSA-N
MW443.59 g/mol
LogP3.45
Rot. Bonds7

About (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide

(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 93210253) has the molecular formula C24H30FN3O2S and a molecular weight of 443.59 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
PubChem CID93210253
Molecular FormulaC24H30FN3O2S
Molecular Weight443.59 g/mol
Exact Mass443.20
IUPAC Name(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C24H30FN3O2S/c25-20-8-3-5-18(15-20)17-26-24(30)23(19-6-1-2-7-19)28-12-10-27(11-13-28)22(29)16-21-9-4-14-31-21/h3-5,8-9,14-15,19,23H,1-2,6-7,10-13,16-17H2,(H,26,30)/t23-/m1/s1
InChIKeySVSIEWJIDCZRDL-HSZRJFAPSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 46024703
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
3-(3-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798624
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide (CID 93210253) is (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide is O=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is SVSIEWJIDCZRDL-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H30FN3O2S/c25-20-8-3-5-18(15-20)17-26-24(30)23(19-6-1-2-7-19)28-12-10-27(11-13-28)22(29)16-21-9-4-14-31-21/h3-5,8-9,14-15,19,23H,1-2,6-7,10-13,16-17H2,(H,26,30)/t23-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).