(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide

C28H32ClN3O2 — CID 30622027

IUPAC(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C28H32ClN3O2/c1-22(28(33)30-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24)32-18-16-31(17-19-32)20-21-34-26-15-9-8-14-25(26)29/h2-15,22,27H,16-21H2,1H3,(H,30,33)/t22-/m1/s1
InChIKeyMMGVCLGYOMNFJU-JOCHJYFZSA-N
MW478.04 g/mol
LogP4.63
Rot. Bonds9

About (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide

(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide (PubChem CID 30622027) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
PubChem CID30622027
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC Name(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C28H32ClN3O2/c1-22(28(33)30-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24)32-18-16-31(17-19-32)20-21-34-26-15-9-8-14-25(26)29/h2-15,22,27H,16-21H2,1H3,(H,30,33)/t22-/m1/s1
InChIKeyMMGVCLGYOMNFJU-JOCHJYFZSA-N
XLogP4.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55490221
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
(2R)-N-benzhydryl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30628505
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 35803946

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide (CID 30622027) is (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide is C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide?
The InChIKey is MMGVCLGYOMNFJU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c1-22(28(33)30-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24)32-18-16-31(17-19-32)20-21-34-26-15-9-8-14-25(26)29/h2-15,22,27H,16-21H2,1H3,(H,30,33)/t22-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide?
(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide has a molecular weight of 478.04 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30622027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).