(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C21H28FN3O2 — CID 93222066

IUPAC(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Nc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-6-3-7-18(14-17)23-20(26)19(15-4-1-2-5-15)24-10-12-25(13-11-24)21(27)16-8-9-16/h3,6-7,14-16,19H,1-2,4-5,8-13H2,(H,23,26)/t19-/m0/s1
InChIKeyUVSNIRUZFRAECB-IBGZPJMESA-N
MW373.47 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 93222066) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID93222066
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Nc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-6-3-7-18(14-17)23-20(26)19(15-4-1-2-5-15)24-10-12-25(13-11-24)21(27)16-8-9-16/h3,6-7,14-16,19H,1-2,4-5,8-13H2,(H,23,26)/t19-/m0/s1
InChIKeyUVSNIRUZFRAECB-IBGZPJMESA-N
XLogP2.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222037
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119857286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 93222066) is (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(Nc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is UVSNIRUZFRAECB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-17-6-3-7-18(14-17)23-20(26)19(15-4-1-2-5-15)24-10-12-25(13-11-24)21(27)16-8-9-16/h3,6-7,14-16,19H,1-2,4-5,8-13H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 373.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 93222066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).