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

C23H29ClN4O — CID 94382297

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C23H29ClN4O/c24-20-5-4-8-22(15-20)27-13-11-26(12-14-27)18-23(29)25-16-19-9-10-28(17-19)21-6-2-1-3-7-21/h1-8,15,19H,9-14,16-18H2,(H,25,29)/t19-/m1/s1
InChIKeyPCCLDLWVDVDKNS-LJQANCHMSA-N
MW412.97 g/mol
LogP3.10
Rot. Bonds6

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 94382297) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID94382297
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C23H29ClN4O/c24-20-5-4-8-22(15-20)27-13-11-26(12-14-27)18-23(29)25-16-19-9-10-28(17-19)21-6-2-1-3-7-21/h1-8,15,19H,9-14,16-18H2,(H,25,29)/t19-/m1/s1
InChIKeyPCCLDLWVDVDKNS-LJQANCHMSA-N
XLogP3.10
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55833151
1-(3-chlorophenyl)-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 55909706
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
CID 75404078
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 109463340
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403299
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 94382297) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PCCLDLWVDVDKNS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29ClN4O/c24-20-5-4-8-22(15-20)27-13-11-26(12-14-27)18-23(29)25-16-19-9-10-28(17-19)21-6-2-1-3-7-21/h1-8,15,19H,9-14,16-18H2,(H,25,29)/t19-/m1/s1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 412.97 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 94382297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).