(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H32FN3O3 — CID 93209757

IUPAC(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H32FN3O3/c24-19-8-3-7-18(15-19)23(29)27-12-10-26(11-13-27)21(17-5-1-2-6-17)22(28)25-16-20-9-4-14-30-20/h3,7-8,15,17,20-21H,1-2,4-6,9-14,16H2,(H,25,28)/t20-,21+/m0/s1
InChIKeyFCIQOWIJWPAYRR-LEWJYISDSA-N
MW417.53 g/mol
LogP2.44
Rot. Bonds6

About (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 93209757) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID93209757
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H32FN3O3/c24-19-8-3-7-18(15-19)23(29)27-12-10-26(11-13-27)21(17-5-1-2-6-17)22(28)25-16-20-9-4-14-30-20/h3,7-8,15,17,20-21H,1-2,4-6,9-14,16H2,(H,25,28)/t20-,21+/m0/s1
InChIKeyFCIQOWIJWPAYRR-LEWJYISDSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 46024452
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209680
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93209781
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
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
(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209748
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 93209757) is (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is FCIQOWIJWPAYRR-LEWJYISDSA-N. The full InChI is InChI=1S/C23H32FN3O3/c24-19-8-3-7-18(15-19)23(29)27-12-10-26(11-13-27)21(17-5-1-2-6-17)22(28)25-16-20-9-4-14-30-20/h3,7-8,15,17,20-21H,1-2,4-6,9-14,16H2,(H,25,28)/t20-,21+/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93209757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).