N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide

C28H32ClN3O2 — CID 42603192

IUPACN-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
SMILESO=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H32ClN3O2/c29-26-13-11-25(12-14-26)28(24-9-5-2-6-10-24)32-17-15-31(16-18-32)19-20-34-22-27(33)30-21-23-7-3-1-4-8-23/h1-14,28H,15-22H2,(H,30,33)/t28-/m1/s1
InChIKeyDDOSMJUNOUTSHF-MUUNZHRXSA-N
MW478.04 g/mol
LogP4.38
Rot. Bonds10

About N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide

N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide (PubChem CID 42603192) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
PubChem CID42603192
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC NameN-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
SMILESO=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H32ClN3O2/c29-26-13-11-25(12-14-26)28(24-9-5-2-6-10-24)32-17-15-31(16-18-32)19-20-34-22-27(33)30-21-23-7-3-1-4-8-23/h1-14,28H,15-22H2,(H,30,33)/t28-/m1/s1
InChIKeyDDOSMJUNOUTSHF-MUUNZHRXSA-N
XLogP4.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cetirizine amide
CID 3068840
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
CID 25221265
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[2-[2-[2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 118109114
N-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118109288
2-[2-[2-[2-[2-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 118109321
tert-butyl N-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 124174191
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]ethoxy]acetate
CID 28145931
N-((R)-1-(4-chloro-benzyl)-2-oxo-2-{4-[1-(phenylacetylamino-methyl)-cyclohexyl]-piperazin-1-yl}-ethyl)-2-methoxy-acetamide
CID 44405443

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide?
The IUPAC name of N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide (CID 42603192) is N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide?
The canonical SMILES for N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide is O=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide?
The InChIKey is DDOSMJUNOUTSHF-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c29-26-13-11-25(12-14-26)28(24-9-5-2-6-10-24)32-17-15-31(16-18-32)19-20-34-22-27(33)30-21-23-7-3-1-4-8-23/h1-14,28H,15-22H2,(H,30,33)/t28-/m1/s1.
What are the key properties of N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide?
N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide has a molecular weight of 478.04 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide is sourced from PubChem (CID 42603192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).