N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide

C21H26ClN3O3 — CID 54170268

IUPACN-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H](O)COc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O3/c22-17-5-4-6-18(13-17)23-21(27)15-25-11-9-24(10-12-25)14-19(26)16-28-20-7-2-1-3-8-20/h1-8,13,19,26H,9-12,14-16H2,(H,23,27)/t19-/m1/s1
InChIKeyOUNJFIXHCCPNDG-LJQANCHMSA-N
MW403.91 g/mol
LogP2.34
Rot. Bonds8

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

N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide (PubChem CID 54170268) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
PubChem CID54170268
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H](O)COc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O3/c22-17-5-4-6-18(13-17)23-21(27)15-25-11-9-24(10-12-25)14-19(26)16-28-20-7-2-1-3-8-20/h1-8,13,19,26H,9-12,14-16H2,(H,23,27)/t19-/m1/s1
InChIKeyOUNJFIXHCCPNDG-LJQANCHMSA-N
XLogP2.34
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-phenylacetamide
CID 46512603
3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
CID 56976603
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134
[4-[3-(3-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;hydrochloride
CID 126476891
2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 22591615
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(2-cyanoethyl)-2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
CID 95324373
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 112771667

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide (CID 54170268) is N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C[C@@H](O)COc2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide?
The InChIKey is OUNJFIXHCCPNDG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-17-5-4-6-18(13-17)23-21(27)15-25-11-9-24(10-12-25)14-19(26)16-28-20-7-2-1-3-8-20/h1-8,13,19,26H,9-12,14-16H2,(H,23,27)/t19-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide has a molecular weight of 403.91 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 54170268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).