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

C27H30ClN3O2 — CID 59295766

IUPACN-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C)[C@H](Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C27H30ClN3O2/c1-19(32)29-26(17-20-8-11-24(28)12-9-20)27(33)31-14-13-30(2)25(18-31)16-21-7-10-22-5-3-4-6-23(22)15-21/h3-12,15,25-26H,13-14,16-18H2,1-2H3,(H,29,32)/t25-,26-/m1/s1
InChIKeyYMXWLTRQEJRJPV-CLJLJLNGSA-N
MW464.01 g/mol
LogP3.93
Rot. Bonds6

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

N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 59295766) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID59295766
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C)[C@H](Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C27H30ClN3O2/c1-19(32)29-26(17-20-8-11-24(28)12-9-20)27(33)31-14-13-30(2)25(18-31)16-21-7-10-22-5-3-4-6-23(22)15-21/h3-12,15,25-26H,13-14,16-18H2,1-2H3,(H,29,32)/t25-,26-/m1/s1
InChIKeyYMXWLTRQEJRJPV-CLJLJLNGSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 59295761
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 173310860
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]acetamide
CID 22111327
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
4-[2-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707519
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
4-chloro-N-[(2R)-1-[(3R)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424401
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
4-chloro-N-[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98773849
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
N-[(2S)-1-[(3S)-4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-3-methylpiperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]acetamide
CID 138743179
N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707474

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 59295766) is N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C)[C@H](Cc2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is YMXWLTRQEJRJPV-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-19(32)29-26(17-20-8-11-24(28)12-9-20)27(33)31-14-13-30(2)25(18-31)16-21-7-10-22-5-3-4-6-23(22)15-21/h3-12,15,25-26H,13-14,16-18H2,1-2H3,(H,29,32)/t25-,26-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 59295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).