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

C23H29FN4O — CID 94382188

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C23H29FN4O/c24-20-6-8-22(9-7-20)27-14-12-26(13-15-27)18-23(29)25-16-19-10-11-28(17-19)21-4-2-1-3-5-21/h1-9,19H,10-18H2,(H,25,29)/t19-/m1/s1
InChIKeyCXDONQBZRIOKBC-LJQANCHMSA-N
MW396.51 g/mol
LogP2.59
Rot. Bonds6

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 94382188) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID94382188
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C23H29FN4O/c24-20-6-8-22(9-7-20)27-14-12-26(13-15-27)18-23(29)25-16-19-10-11-28(17-19)21-4-2-1-3-5-21/h1-9,19H,10-18H2,(H,25,29)/t19-/m1/s1
InChIKeyCXDONQBZRIOKBC-LJQANCHMSA-N
XLogP2.59
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55833151
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120595897
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
CID 75404078
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 94382188) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is CXDONQBZRIOKBC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29FN4O/c24-20-6-8-22(9-7-20)27-14-12-26(13-15-27)18-23(29)25-16-19-10-11-28(17-19)21-4-2-1-3-5-21/h1-9,19H,10-18H2,(H,25,29)/t19-/m1/s1.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 94382188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).